SCHEMBL2225671

SCHEMBL2225671

CCOC(=O)c1cnc(C)c(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
HSD17B10 Q99714 7/20 0.51
P2RY12 Q9H244 1/20 0.50
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 7/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 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
SCHEMBL3954184 0.87 P2RY12 (0.49) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL719802 0.85 TDP1 (0.50) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL11194084 0.85 P2RY12 (0.48) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL14955100 0.85 P2RY12 (0.48) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL15582692 0.84 GAA (0.49) KDM4EP2RY12GAAL3MBTL1CYP2C9
SCHEMBL12467752 0.83 L3MBTL1 (0.61) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL3948173 0.81 P2RY12 (0.45) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL2121810 0.80 P2RY12 (0.47) KDM4EHSD17B10P2RY12GAAL3MBTL1
SCHEMBL16659359 0.79 KDM4E (0.46) KDM4EGAAALDH1A1HPGDPOLB
SCHEMBL2227107 0.79 XDH (0.49) KDM4EHSD17B10ALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2024-09-26 US disclosed
WO-2022178256-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-08-25 WO disclosed
CN-111825654-A Phenylmethylene piperidine derivatives, preparation method, intermediates and uses thereof 北京酷瓴生物技术有限公司 2020-10-27 CN disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
WO-2020211836-A1 BENZENE PIPERIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 北京酷瓴生物技术有限公司 2020-10-22 WO disclosed
CN-107001342-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
US-10188653-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2019-01-29 US disclosed
EP-3148987-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-02 EP disclosed
EP-3148987-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-02 EP disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-8901156-B2 Compounds and methods TEMPERO PHARMACEUTICALS, INC. (US) 2014-12-02 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
US-20130059883-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. 2013-03-07 US disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
WO-2011088181-A9 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-31 WO disclosed
EP-2533783-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-12-19 EP disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed
US-20050261292-A1 Pharmaceutical composition containing N-sulfamoyl-N'-arylpiperazines for the treatment or inhibition of obesity and related conditions SOLVAY PHARMACEUTICALS GMBH (DE) 2005-11-24 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 (4 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-20240317752-A1 6-SUBSTITUTED-9H-PURINE DERIVATIVES AND RELATED USES TYMP, DPYD, PNP KDM4E 3183/4885HSD17B10 2907/4885P2RY12 253/4885
US-10188653-B2 Diacylglycerol acyltransferase 2 inhibitors DGAT2, LCLAT1, DGAT1 KDM4E 3061/4885HSD17B10 403/4885P2RY12 4628/4885
US-20050261292-A1 Pharmaceutical composition containing N-sulfamoyl-N'-arylpiperazines for the treatment or inhibition of obesity and related conditions GPR119, FABP4, SULT2A1 KDM4E 2527/4885HSD17B10 134/4885P2RY12 145/4885
US-20130059883-A1 COMPOUNDS AND METHODS XDH, LPXN, CCNY KDM4E 2959/4885HSD17B10 2733/4885P2RY12 2856/4885

“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.