SCHEMBL157702

SCHEMBL157702

NC(=O)c1cc2cnccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.56
DAO P14920 1/20 0.54
CNR2 P34972 1/20 0.52
NAMPT P43490 12/20 0.51
CYP2C9 P11712 3/20 0.51
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
MAP2K1 Q02750 1/20 0.47
CCNC P24863 2/20 0.46
CDK8 P49336 2/20 0.46
HDAC1 Q13547 3/20 0.45
HDAC3 O15379 2/20 0.44
HDAC2 Q92769 2/20 0.44
NCOR2 Q9Y618 2/20 0.44

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
SCHEMBL1884988 0.86 HRH4 (0.56) HRH4DAOMAP2K1CCNCCDK8
SCHEMBL23212302 0.85 HRH4 (0.55) HRH4DAONAMPTMAP2K1CCNC
SCHEMBL168527 0.84 DAO (0.58) HRH4DAOCNR2NAMPTCYP2C9
SCHEMBL12647210 0.83 HRH4 (0.59) HRH4DAOCNR2NAMPTCYP2C9
SCHEMBL29263824 0.82 KDM4E (0.62) HRH4CNR2NAMPTCYP2C9HDAC1
SCHEMBL1207759 0.79 DAO (0.62) HRH4DAOCNR2NAMPTCYP2C9
SCHEMBL14666019 0.79 HRH4 (0.56) HRH4DAOCNR2NAMPTCYP2C9
SCHEMBL1569349 0.79 NAMPT (0.64) HRH4DAOCNR2NAMPTCYP2C9
SCHEMBL24112867 0.79 CNR2 (0.59) HRH4DAOCNR2NAMPTCYP2C9
SCHEMBL28610769 0.79 HRH4 (0.56) HRH4DAOCNR2NAMPTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN claimed
EP-3856735-B1 FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-09-06 EP claimed
EP-3856735-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS New York University (US) 2021-08-04 EP claimed
WO-2020073031-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS NEW YORK UNIVERSITY (US) 2020-04-09 WO claimed
CN-103384668-B compounds and compositions for inhibition of NAMPT 福马TM有限责任公司 2017-05-31 CN claimed
WO-2014111871-A1 4,5-DIHYDROISOXAZOLE DERIVATIVES AS NAMPT INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-24 WO claimed
EP-2611804-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT Forma TM, LLC. (US) 2013-07-10 EP claimed
WO-2012031197-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT FORMA THERAPEUTICS, INC. (US) 2012-03-08 WO claimed
JP-4691506-B2 2011-06-01 JP claimed
EP-2197552-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2010-06-23 EP claimed
EP-1747220-B1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMA INC (US) 2009-04-15 EP claimed
WO-2009037001-A2 NOVEL TETRAHYDROFUSEDPYRIDINES AS HISTONE DEACETYLASE INHIBITORS 4SC AG (DE) 2009-03-26 WO claimed
CN-100439367-C Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMA INC (US) 2008-12-03 CN claimed
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie AVENTIS PHARMACEUTICALS INC. (US) 2008-08-21 US claimed
EP-1747220-A1 SUBSTITUTED 1H-PYRROLO 3,2-B, 3,2-C, AND 2,3-C¨PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON Aventis Pharmaceuticals Inc. (US) 2007-01-31 EP claimed
CN-1906194-A Substituted 1H-pyrrolo [3, 2-b, 3, 2-c and 2, 3-c ] pyridine-2-carboxamides and related analogs as inhibitors of casein kinase ie AVENTIS PHARMA INC (US) 2007-01-31 CN claimed
WO-2005061498-A1 SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON AVENTIS PHARMACEUTICALS INC. (US) 2005-07-07 WO claimed
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2005-06-16 US claimed
US-12336981-B2 Compounds and compositions for the inhibition of NAMPT VALO HEALTH, INC. (US) 2025-06-24 US disclosed
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon AVENTIS PHARMACEUTICALS INC. (US) 2005-06-16 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 (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-12336981-B2 Compounds and compositions for the inhibition of NAMPT NAMPT, NNMT, NNT HRH4 2811/4885DAO 1925/4885CNR2 1837/4885
US-20080200496-A1 SUBSTITUTED 1H-PYRROLO[3,2-b, 3,2-c, and 2,3-c]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE Ie CSNK1E, CSNK1G3, CSNK2A3 HRH4 1246/4885DAO 1957/4885CNR2 63/4885
US-20050131012-A1 Substituted 1H-pyrrolo[3,2-b, 3,2-c, and 2,3-c]pyridine-2-carboxamides and related analogs as inhibitors of casein kinase lepsilon CSNK2A3, PACSIN2, CSNK1G3 HRH4 1517/4885DAO 1447/4885CNR2 67/4885

“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.