SCHEMBL508971

SCHEMBL508971

CCOC(=O)c1ccnc(C#N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 4/20 0.52
PIK3CA P42336 1/20 0.50
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
CA14 Q9ULX7 3/20 0.47
MYC P01106 1/20 0.44
KDM5A P29375 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSD17B2 P37059 1/20 0.43

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
SCHEMBL28385859 0.88 JMJD6 (0.54) JMJD6MYCESR1KDM4EALDH1A1
SCHEMBL28390202 0.87 L3MBTL1 (0.51) JMJD6ESR1ALDH1A1HPGDLMNA
SCHEMBL5556339 0.85 SYK (0.53) JMJD6MYCALDH1A1HPGD
SCHEMBL29551721 0.83 KDM4E (0.55) JMJD6CA12CA1CA2CA7
SCHEMBL2224335 0.83 KDM4E (0.55) JMJD6CA12CA1CA2CA7
SCHEMBL3354058 0.81 PIK3CA (0.50) JMJD6PIK3CACA12CA1CA2
SCHEMBL31181709 0.81 CYP2C9 (0.49) MYCALDH1A1HPGD
SCHEMBL19065487 0.81 CYP2C9 (0.49) MYCALDH1A1HPGD
SCHEMBL19921339 0.80 JMJD6 (0.55) JMJD6KDM4EALDH1A1HPGDLMNA
SCHEMBL8831457 0.79 JMJD6 (0.50) JMJD6PIK3CACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698395-A Preparation method of topiroxostat intermediate 杭州百诚医药科技股份有限公司 2020-01-17 CN claimed
CN-110698395-B Preparation method of topiroxostat intermediate 杭州百诚医药科技股份有限公司 2021-05-25 CN disclosed
CN-110698395-A Preparation method of topiroxostat intermediate 杭州百诚医药科技股份有限公司 2020-01-17 CN disclosed
US-9564274-B2 Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound FUJIFILM CORPORATION (JP) 2017-02-07 US disclosed
US-9564274-B2 Metal complex dye, photoelectric conversion element, dye-sensitized solar cell, dye solution, and compound FUJIFILM CORPORATION (JP) 2017-02-07 US disclosed
US-20140290746-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed
US-20140290746-A1 METAL COMPLEX DYE, PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, DYE SOLUTION, AND COMPOUND FUJIFILM CORPORATION (JP) 2014-10-02 US disclosed
WO-2013127268-A1 AMIDO-BENZYL SULFONE AND SULFONAMIDE DERIVATIVES GENENTECH,INC. (US) 2013-09-06 WO disclosed
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives F. HOFFMAN-LA ROCHE AG A SWISS COMPANY (CH) 2002-12-19 US disclosed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO disclosed
WO-2002083652-A1 DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
WO-2002083665-A1 DIHYDRO-BENZO[b][1,4]DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS I F. HOFFMANN-LA ROCHE AG (CH) 2002-10-24 WO disclosed
WO-2002079200-A1 3-HETEROCYCLYLPROPANOHYDROXAMIC ACID AS PROCOLLAGEN C-PROTEINASE INHIBITORS PFIZER LIMITED (GB) 2002-10-10 WO disclosed
EP-1224175-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
EP-1224174-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-07-24 EP disclosed
US-6407094-B1 4-5-DIDEHYDRO-1,5-BENZODIAZEPIN-2-ONE DERIVATIVES; PSYCHOLOGICAL, NERVOUS SYSTEM, AND BRAIN DISORDERS; COGNITION ACTIVATORS; ALZHEIMER*S DISEASE, SCHIZOPHRENIA HOFFMANN-LA ROCHE INC. 2002-06-18 US disclosed
WO-2001029011-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 WO disclosed
WO-2001029012-A2 BENZODIAZEPINE DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-04-26 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 (2 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-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD JMJD6 2613/4885PIK3CA 1811/4885CA12 4876/4885
US-20020193367-A1 Dihydro-benzo [b] [1,4] diazepin-2-one derivatives CYP1B1, GRIN2B, BDKRB1 JMJD6 2759/4885PIK3CA 4133/4885CA12 4037/4885

“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.