SCHEMBL173308

SCHEMBL173308

COC(=O)c1n[nH]c2ccc(N)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.65
STAT3 P40763 1/20 0.65
HIF1A Q16665 1/20 0.65
GSK3B P49841 2/20 0.50
CDC7 O00311 1/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAG1 P54619 1/20 0.48
PRKAB1 Q9Y478 1/20 0.48
NAMPT P43490 1/20 0.47
GAA P10253 1/20 0.45
FLT3 P36888 1/20 0.45
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
DYRK1A Q13627 2/20 0.44
DYRK3 O43781 1/20 0.44
MAP4K4 O95819 1/20 0.44
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
MARK3 P27448 1/20 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
SCHEMBL14574212 0.89 KDM4E (0.63) KDM4ESTAT3HIF1AGSK3BCDC7
SCHEMBL3387632 0.88 PRKAA1 (0.60) KDM4ESTAT3HIF1AGSK3BCDC7
SCHEMBL4793050 0.84 KDM4E (0.65) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL4101185 0.84 KDM4E (0.68) KDM4ESTAT3HIF1AGSK3BGAA
SCHEMBL4794844 0.83 KDM4E (0.63) KDM4ESTAT3HIF1AGSK3BCDC7
SCHEMBL7345855 0.83 KDM4E (0.63) KDM4ESTAT3HIF1AGSK3BCDC7
SCHEMBL1141823 0.83 KDM4E (0.63) KDM4ESTAT3HIF1AGSK3BCDC7
SCHEMBL4291226 0.83 KDM4E (0.63) KDM4ESTAT3HIF1AGSK3BCDC7
SCHEMBL4793264 0.83 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1
SCHEMBL2536370 0.83 KDM4E (0.63) KDM4ESTAT3HIF1ACDC7PRKAA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021050688-A1 COMPOUNDS AND USES THEREOF X-CHEM, INC. (US) 2021-03-18 WO disclosed
WO-2021050688-A1 COMPOUNDS AND USES THEREOF X-CHEM, INC. (US) 2021-03-18 WO disclosed
US-9777020-B2 Furo-3-carboxamide derivatives and methods of use ABBVIE INC. (US) 2017-10-03 US disclosed
EP-3097095-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE AbbVie Inc. (US) 2016-11-30 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
EP-2613782-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-11-02 EP disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
US-9249125-B2 Pyrazole derivatives as p38 MAP inhibitors RESPIVERT LIMITED (GB) 2016-02-02 US disclosed
WO-2015112754-A1 FURO-3-CARBOXAMIDE DERIVATIVES AND METHODS OF USE ABBVIE INC. (US) 2015-07-30 WO disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
WO-2012030685-A2 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-08 WO disclosed
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-07-08 US disclosed
EP-2152664-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS Brystol-Myers Squibb Company (US) 2010-02-17 EP disclosed
WO-2008157162-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-24 WO disclosed
US-20060135516-A1 3-(Carbonyl) 1h-indazole compounds as cyclin dependent kinases (cdk) inhibitors ASTEX TECHNOLOGY, LTD. (GB) 2006-06-22 US disclosed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US disclosed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP disclosed
WO-2005014554-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS MAPKAP KINASE MODULATORS ASTEX THERAPEUTICS LIMITED (GB) 2005-02-17 WO disclosed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 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-20060135516-A1 3-(Carbonyl) 1h-indazole compounds as cyclin dependent kinases (cdk) inhibitors CCNI, CDK3, CDK2 KDM4E 758/4885STAT3 1740/4885HIF1A 561/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 KDM4E 2124/4885STAT3 1197/4885HIF1A 285/4885
US-20100173899-A1 DIPEPTIDE ANALOGS AS COAGULATION FACTOR INHIBITORS F11, TFPI, SERPINC1 KDM4E 1645/4885STAT3 2662/4885HIF1A 3046/4885

“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.