SCHEMBL718110

SCHEMBL718110

[c]1nc(-c2ccon2)cs1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM1 P11229 1/20 0.34
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL7221782 0.88 NPC1 (0.32) CYP1A2KDM4ENPC1RAB9A
SCHEMBL3082762 0.75 NPC1 (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL549435 0.71 MAPT (0.50) CYP19A1KDM4ENPC1RAB9AMAPT
SCHEMBL5333405 0.67 FYN (0.37) CYP1A2CYP2D6CYP2C19
SCHEMBL28450892 0.67 KMO (0.34)
Methoxymethane SCHEMBL27908243 0.66 RAB9A (0.50) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL3809697 0.65
SCHEMBL3854174 0.65 KDM4A (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL157686 0.65 CYP1A2 (0.32) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL27881782 0.65 RAB9A (0.42) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2344486-B1 ALKYLTHIAZOL CARBAMATE DERIVATIVES, PREPARATION THEREOF AND THEIR USE AS FAAH INHIBITORS SANOFI SA (FR) 2013-03-27 EP claimed
US-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives ASTELLAS PHARMA GMBH (DE) 2007-09-20 US claimed
US-20070191400-A1 Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives RIMONYX PHARMACEUTICALS LTD. (IL) 2007-08-16 US claimed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US claimed
EP-1740176-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-INFLAMMATORY QUINAZOLINECARBOXAMIDE DERIVATIVES Rimonyx Pharmaceuticals Ltd. (IL) 2007-01-10 EP claimed
WO-2005089068-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-INFLAMMATORY QUINAZOLINECARBOXAMIDE DERIVATIVES RIMONYX PHARMACEUTICALS LTD. (IL) 2005-09-29 WO claimed
CN-118284082-A Light emitting device, electronic device including the same, and electronic apparatus including the same 三星显示有限公司 2024-07-02 CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 EP disclosed
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors ARRAY BIOPHARMA INC. (US) 2023-12-26 US disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 WO disclosed
CN-110267960-B Substituted pyrazolo [1,5-a ] pyrazine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-04-26 CN disclosed
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2022-04-21 US disclosed
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
EP-1070058-A1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES Pfizer Products Inc. (US) 2001-01-24 EP disclosed
WO-2000038680-A1 AZABICYCLOALKANES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2000-07-06 WO disclosed
US-6022976-A Process for the production of 5-hydroxyoxazolidinones ZENECA LIMITED 2000-02-08 US disclosed
WO-1999052889-A1 (4-ARYLSULFONYLAMINO)-TETRAHYDROPYRAN-4-CARBOXYLIC ACID HYDROXAMIDES PFIZER PRODUCTS INC. (US) 1999-10-21 WO disclosed
EP-0906318-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AS 5-HT RECEPTOR AGONISTS MERCK SHARP & DOHME LTD. (GB) 1999-04-07 EP disclosed
WO-1997045432-A1 PIPERAZINE, PIPERIDINE AND TETRAHYDROPYRIDINE DERIVATIVES AS 5-HT RECEPTOR AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-12-04 WO disclosed
US-5296503-A Administering orally BAYER AKTIENGESELLSCHAFT (DE) 1994-03-22 US 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 (5 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-20070219197-A1 Pyridyl alkene and pyridyl alkine- acid amides as cytostatics and immuno-suppressives NFATC1, PDCD1, ACIN1 CYP1A2 2046/4885CYP2D6 1794/4885CYP19A1 3737/4885
US-20220119396-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 CYP1A2 3675/4885CYP2D6 3470/4885CYP19A1 2496/4885
US-11851434-B2 Substituted pyrazolo[1,5-A]pyrazine compounds as ret kinase inhibitors RET, BRAF, ROR1 CYP1A2 3675/4885CYP2D6 3470/4885CYP19A1 2496/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 CYP1A2 3559/4885CYP2D6 3420/4885CYP19A1 2427/4885
US-20070191400-A1 Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives HPSE, SSB, HCLS1 CYP1A2 2461/4885CYP2D6 2382/4885CYP19A1 4236/4885

“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.