SCHEMBL12200901

SCHEMBL12200901

COC(=O)/C=C/c1cccc2c1CC(=O)N2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHPS P49366 1/20 0.43
▸ CCNB2 O95067 2/20 0.42
▸ CDK1 P06493 2/20 0.42
▸ CCNB1 P14635 2/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ CCNB3 Q8WWL7 2/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13638414 0.77 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL837314 0.74 ALOX5 (0.43) ALDH1A1HPGDHSD17B10DRD2CA12
SCHEMBL9251499 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL9251495 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL13930334 0.73 DRD2 (0.46) DHPSCCNB2CDK1CCNB1GSK3B
SCHEMBL30609062 0.73 DRD2 (0.46) DHPSCCNB2CDK1CCNB1GSK3B
SCHEMBL5362141 0.73 CCNB2 (0.48) DHPSCCNB2CDK1CCNB1GSK3B
SCHEMBL10438847 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL69522 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL29612197 0.71 AHR (0.44) DHPSCCNB2CDK1CCNB1GSK3B

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748601-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-10 — — US disclosed
US-8748601-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-06-10 — — US disclosed
US-8034821-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-11 — — US disclosed
US-8034821-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-11 — — US disclosed
US-20100256171-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-07 — — US disclosed
US-20100256171-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-10-07 — — US disclosed
US-7687506-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 — — US disclosed
US-7687506-B2 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-03-30 — — US disclosed
US-20090221614-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (CA) 2009-09-03 — — US disclosed
US-20090221614-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (CA) 2009-09-03 — — US disclosed
US-20070082884-A1 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-04-12 — — US disclosed
US-20070082884-A1 Selective serine/threonine kinase inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-04-12 — — US disclosed
WO-2007038613-A2 SELECTIVE SERINE/THREONINE KINASE INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-04-05 — — 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-20070082884-A1 Selective serine/threonine kinase inhibitors DSTYK, TTK, SBK1 DHPS 2531/4885CCNB2 1636/4885CDK1 158/4885
US-20090221614-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS DSTYK, TTK, SBK1 DHPS 2531/4885CCNB2 1636/4885CDK1 158/4885
US-20100256171-A1 SELECTIVE SERINE/THREONINE KINASE INHIBITORS DSTYK, TTK, SBK1 DHPS 2531/4885CCNB2 1636/4885CDK1 158/4885

“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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