SCHEMBL2465653

SCHEMBL2465653

Cc1ccnc(C(N)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALOX15 P16050 1/20 0.43
PARP1 P09874 1/20 0.41
POLB P06746 2/20 0.40
CCNC P24863 2/20 0.39
CDK8 P49336 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
PIK3CB P42338 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 2/20 0.38
IKBKB O14920 1/20 0.38
TGFBR1 P36897 1/20 0.37
SIRT3 Q9NTG7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAP4K4 O95819 1/20 0.37
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Formic Acid SCHEMBL5366284 0.88 KMT2A (0.42) KMT2AALOX15PARP1POLBCCNC
SCHEMBL882969 0.81 SORD (0.45) KMT2AALOX15POLBL3MBTL1NPC1
SCHEMBL1578222 0.81 KMO (0.51) KMT2AALOX15
SCHEMBL22072451 0.79 KMT2A (0.42) KMT2AALOX15L3MBTL1TGFBR1MAPT
Hydrochloric Acid SCHEMBL22042734 0.78 KMT2A (0.41) KMT2AALOX15L3MBTL1TGFBR1MAPT
SCHEMBL3906535 0.77 ADORA3 (0.42) KMT2APARP1MAP4K4
SCHEMBL30521607 0.77 ADORA3 (0.42) KMT2APARP1MAP4K4
SCHEMBL163294 0.77 KDM4E (0.37) KMT2APARP1L3MBTL1SMN1; SMN2SIRT3
SCHEMBL669901 0.77 MKNK1 (0.42) PARP1SMN1; SMN2LIMK1MAP4K4
SCHEMBL163293 0.77 MKNK1 (0.38) KMT2APARP1L3MBTL1SMN1; SMN2LIMK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-1648874-B1 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC (CA) 2011-10-05 EP claimed
EP-1846035-B1 COMBINATION THERAPY XENON PHARMACEUTICALS INC (CA) 2011-09-21 EP claimed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US claimed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US claimed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN claimed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP claimed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US claimed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP claimed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US claimed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO claimed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
EP-4551566-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS Les Laboratoires Servier (FR) 2025-05-14 EP disclosed
WO-2024008941-A1 NEW SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS LES LABORATOIRES SERVIER (FR) 2024-01-11 WO disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
CN-110520127-B Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 武田药品工业株式会社 2023-05-16 CN disclosed
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed
EP-4003965-A1 UREA, AMIDE, AND SUBSTITUTED HETEROARYL COMPOUNDS FOR CBL-B INHIBITION Nurix Therapeutics, Inc. (US) 2022-06-01 EP disclosed
CN-110520127-A Piperidinyl-substituted and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6 TAKEDA PHARMACEUTICALS CO 2019-11-29 CN disclosed
CN-104981468-B The piperazine heterocycle compound of benzimidazole 2, its pharmaceutical composition and its production and use 上海汇伦生命科技有限公司 2018-01-05 CN disclosed
EP-3042895-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2016-07-13 EP disclosed
EP-2994469-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS Gilead Sciences, Inc. (US) 2016-03-16 EP disclosed
EP-2316827-B1 Piperazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC (CA) 2016-01-27 EP disclosed
WO-2014182929-A1 BENZIMIDAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GILEAD SCIENCES, INC. (US) 2014-11-13 WO disclosed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP disclosed
US-8536195-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-17 US disclosed
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 US disclosed
US-8314125-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US disclosed
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS NOVARTIS PHARMA AG (US) 2010-12-09 US disclosed
EP-2257291-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS IN THE TREATMENT OF SKIN DISORDERS Xenon Pharmaceuticals Inc. (CA) 2010-12-08 EP disclosed
US-20100204255-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-12 US disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7759348-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2010-07-20 US disclosed
US-7754711-B2 Antidiabetic agents; disease of glucose tolerance; insulin resistance; obesity; dyslipidemia; metabolic disorders; liver disorders XENON PHARMACEUTICALS INC. (CA) 2010-07-13 US disclosed
US-7745629-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-29 US disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS ALI MOHAMMED A 2010-03-04 US disclosed
US-20100016387-A1 METHOD OF TREATMENT BOSE AVIRUP 2010-01-21 US disclosed
EP-2101783-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA Novartis Ag (CH) 2009-09-23 EP disclosed
WO-2009112445-A1 METHOD OF INCREASING CELLULAR PHOSPHATIDYL CHOLINE BY DGAT1 INHIBITION NOVARTIS AG (CH) 2009-09-17 WO disclosed
WO-2009106991-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2009-09-03 WO disclosed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP disclosed
US-20090131447-A1 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2009-05-21 US disclosed
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2008-11-13 US disclosed
EP-1654260-A4 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PROD INC (US) 2008-09-24 EP disclosed
WO-2008073865-A2 METHOD OF PREVENTING OR TREATING MYOCARDIAL ISCHEMIA NOVARTIS AG (CH) 2008-06-19 WO disclosed
CN-101203244-A Compositions of rennin inhibitor and insulin secernent or insulin sensitizer NOVARTIS AG (CH) 2008-06-18 CN disclosed
US-20080119453-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-22 US disclosed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO disclosed
EP-1907004-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER Novartis AG (CH) 2008-04-09 EP disclosed
US-7335658-B2 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2008-02-26 US disclosed
EP-1888558-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals, Inc. (US) 2008-02-20 EP disclosed
EP-1851205-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-11-07 EP disclosed
EP-1846035-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2007-10-24 EP disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
US-20070087363-A1 Therapeutic methods, compounds and compositions MYRIAD GENETICS, INCORPORATED (US) 2007-04-19 US disclosed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO disclosed
WO-2006124744-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-11-23 WO disclosed
WO-2006086447-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
EP-1654260-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-05-10 EP disclosed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP disclosed
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2006-01-12 US disclosed
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2005-05-19 US disclosed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed
WO-2005011601-A2 6-MENBERED HETEROARYL COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS, INC. (US) 2005-02-10 WO disclosed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080119453-A1 Bicyclic derivatives as modulators of ion channels KCNJ2, TRPV1, KCNN3 KMT2A 2880/4885ALOX15 2514/4885PARP1 3082/4885
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 KMT2A 2223/4885ALOX15 1509/4885PARP1 818/4885
US-20050107381-A1 6-membered heteroaryl compounds for the treatment of neurodegenerative disorders APP, BACE1, SNCA KMT2A 2085/4885ALOX15 2696/4885PARP1 1565/4885
US-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 KMT2A 1012/4885ALOX15 3785/4885PARP1 4842/4885
US-20100204255-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNN3 KMT2A 2880/4885ALOX15 2514/4885PARP1 3082/4885
US-20080280916-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 KMT2A 2591/4885ALOX15 1840/4885PARP1 635/4885
US-20130084639-A1 Bicyclic Derivatives as Modulators of Ion Channels KCNJ2, TRPV1, KCNN3 KMT2A 2880/4885ALOX15 2514/4885PARP1 3082/4885
US-20100311763-A1 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MC1R, CASP9, PRDX5 KMT2A 2591/4885ALOX15 1840/4885PARP1 635/4885
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 KMT2A 2864/4885ALOX15 335/4885PARP1 981/4885
US-20070087363-A1 Therapeutic methods, compounds and compositions APP, BACE1, PSEN1 KMT2A 3153/4885ALOX15 1252/4885PARP1 2912/4885
US-20100056460-A1 COMBINATION OF ORGANIC COMPOUNDS REN, IAPP, ACE KMT2A 3894/4885ALOX15 1601/4885PARP1 4566/4885
US-20090131447-A1 COMBINATION THERAPY SCD, SCD5, ARG1 KMT2A 1131/4885ALOX15 1402/4885PARP1 731/4885
US-20060009459-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, C3AR1 KMT2A 2297/4885ALOX15 1477/4885PARP1 867/4885
US-20100016387-A1 METHOD OF TREATMENT DGAT1, DGAT2, DGKA KMT2A 1689/4885ALOX15 758/4885PARP1 2282/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.