SCHEMBL939282

SCHEMBL939282

CCOC(=O)c1c(F)ccc(N)c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ MAPT P10636 5/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ PRKCZ Q05513 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ GLA P06280 1/20 0.46

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
SCHEMBL5431033 0.87 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL8107311 0.83 ALDH1A1 (0.47) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL687729 0.82 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL5886481 0.81 ALDH1A1 (0.43) ALDH1A1HSD17B10MAPTHPGDGAA
SCHEMBL9573869 0.81 PRKCZ (0.47) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL1496420 0.79 PRKCZ (0.48) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL940019 0.79 PRKCZ (0.45) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL1997194 0.79 CA12 (0.53) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL1496442 0.78 SMN1; SMN2 (0.42) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2
SCHEMBL2930533 0.78 CACNA1C (0.45) ALDH1A1HSD17B10MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098880-A1 FUSED RING DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-06-08 — — WO disclosed
EP-2454253-B1 AMINOPYRIDINE DERIVATIVES FOR TREATING TUMORS AND INFLAMMATORY DISEASES MERCK PATENT GMBH (DE) 2015-01-21 — — EP disclosed
WO-2014092104-A1 OXADIAZOLE DERIVATIVE AND PHARMACEUTICAL USE OF SAME 大日本住友製薬株式会社 (JP) 2014-06-19 — — WO disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 — — US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 — — US disclosed
US-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 — — US disclosed
EP-2440542-B1 Substituted benzimidazoles, benzonthiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2013-12-18 — — EP disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-8232288-B2 Substituted benzimidazoles, benzothiazoles and benzoxazoles GRUENENTHAL GMBH (DE) 2012-07-31 — — US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 — — US disclosed
US-20090298824-A1 Organic compounds PRESS NEIL J 2009-12-03 — — US disclosed
US-20060229336-A1 Ccr5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORPORATION 2006-10-12 — — US disclosed
EP-1709015-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2006-10-11 — — EP disclosed
EP-1636216-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS Sanofi-Aventis Deutschland GmbH (DE) 2006-03-22 — — EP disclosed
EP-1569646-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-07 — — EP disclosed
WO-2005070906-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2005-08-04 — — WO disclosed
US-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-13 — — US disclosed
WO-2004101553-A1 BENZIMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-11-25 — — WO disclosed
WO-2004054974-A2 PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-07-01 — — 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 (3 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-20050009829-A1 Benzimidazole-derivatives as factor Xa inhibitors F12, F11, F5 ALDH1A1 1259/4885HSD17B10 3777/4885MAPT 4847/4885
US-20060229336-A1 Ccr5 antagonists as therapeutic agents CCR5, CCR1, CXCR3 ALDH1A1 2787/4885HSD17B10 3023/4885MAPT 4442/4885
US-20090298824-A1 Organic compounds CXCR2, CXCR3, CXCR1 ALDH1A1 1000/4885HSD17B10 2007/4885MAPT 4012/4885

“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.

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