SCHEMBL3751072

SCHEMBL3751072

Cc1noc(-c2ccccc2)c1C

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
BRD2 P25440 1/20 0.53
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDO2 P48775 1/20 0.50
KDM4E B2RXH2 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR3 Q9UBY5 1/20 0.46
EDNRB P24530 5/20 0.45
EDNRA P25101 5/20 0.45
PTPN1 P18031 1/20 0.43
PTGS1 P23219 2/20 0.42
PTGS2 P35354 1/20 0.42
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41

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
Formamide SCHEMBL4795044 0.89 BRD4 (0.46) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL16021584 0.83 MAPT (0.47) MAPTALDH1A1SMN1; SMN2KDM4EEDNRB
SCHEMBL21105084 0.81 PTGS1 (0.55) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL21105338 0.81 BRD4 (0.68) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL3751069 0.79 BRD4 (0.55) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL12377638 0.79 MAPT (0.48) BRD4MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL7048942 0.79 BRD4 (0.50) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL6581665 0.79 PTPN1 (0.44) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL3925819 0.79 BRD4 (0.50) BRD4BRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL27886960 0.79 EDNRB (0.45) MAPTALDH1A1EDNRBEDNRATP53

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias ASTRAZENECA AB (SE) 2010-11-25 US claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-3572402-B1 LINKED CYCLIC COMPOUND AS CASPASE INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO LTD (CN) 2022-05-04 EP disclosed
EP-3683209-A1 PROCESS FOR PREPARING [(5-(3-CHLOROPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ACETIC ACID FROM 5-((3-CHLOROPHENYL)-3-CHLORO-PYRIDIN-2-YL)-NITRILE, AND PROCESS FOR PREPARING 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES Akebia Therapeutics Inc. (US) 2020-07-22 EP disclosed
EP-2970193-B1 PYRROLE AMIDE INHIBITORS ABBVIE INC (US) 2018-07-25 EP disclosed
EP-3290404-A1 5-((HALOPHENYL)-3-HALO-PYRIDIN-2-YL)-NITRILE DERIVATIVES AS INTERMEDIATES IN THE PREPARATION OF [(5-(HALOPHENYL)-3-HYDROXYPYRIDINE-2-CARBONYL)-AMINO]ALKANOIC ACID DERIVATIVES Akebia Therapeutics Inc. (US) 2018-03-07 EP disclosed
US-20170362178-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES KREOS CAPITAL VII (UK) LIMITED (GB) 2017-12-21 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO disclosed
US-20080015237-A1 NEW COMPOUNDS I/418 ASTRAZENECA AB (SE) 2008-01-17 US disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (6 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-20170362178-A1 PROCESS FOR PREPARING [(3-HYDROXYPYRIDINE-2-CARBONYL)AMINO]ALKANOIC ACIDS, ESTERS AND AMIDES HPD, APEH, P4HA1 BRD4 4652/4885BRD2 3148/4885MAPT 4316/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 BRD4 165/4885BRD2 323/4885MAPT 4160/4885
US-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 BRD4 780/4885BRD2 1105/4885MAPT 294/4885
US-20080015237-A1 NEW COMPOUNDS I/418 KCNH1, KCNH2, KCNH3 BRD4 2112/4885BRD2 4186/4885MAPT 4504/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 BRD4 1/4885BRD2 6/4885MAPT 2244/4885
US-20100298392-A1 Isoindoline Derivatives For The Treatment Of Arrhythmias KCNH1, KCNH2, KCNQ2 BRD4 2453/4885BRD2 2325/4885MAPT 4244/4885

“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.