SCHEMBL2086282

SCHEMBL2086282

Cc1c(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)n2)sc(=O)n1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.56
CDK1 P06493 8/20 0.56
CCNT1 O60563 7/20 0.56
CDK9 P50750 7/20 0.56
CDK7 P50613 6/20 0.56
CCNB1 P14635 5/20 0.56
CCNA2 P20248 5/20 0.56
CCNH P51946 5/20 0.56
CCNE1 P24864 1/20 0.52
IKBKB O14920 2/20 0.50
CHUK O15111 2/20 0.50
SMG1 Q96Q15 2/20 0.50
MTOR P42345 1/20 0.50
CCNA1 P78396 2/20 0.48
RIPK2 O43353 1/20 0.48
MKNK2 Q9HBH9 3/20 0.47
JAK2 O60674 2/20 0.47
JAK3 P52333 2/20 0.47
CDC7 O00311 1/20 0.47
PLK4 O00444 1/20 0.47

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
SCHEMBL2086244 0.87 CDK2 (0.73) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL4164569 0.84 CDK2 (0.63) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL2087887 0.84 CDK1 (0.67) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL12423192 0.80 CDK2 (0.53) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL2086549 0.80 CDK2 (0.53) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL2086251 0.80 CDK2 (0.54) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL2086940 0.79 CDK2 (0.51) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL6622738 0.79 CDK2 (0.52) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL2076613 0.79 CDK2 (0.80) CDK2CDK1CCNT1CDK9CDK7
SCHEMBL13486464 0.78 CDK2 (0.47) CDK2CDK1CCNT1CDK9CDK7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US claimed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP claimed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO claimed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US claimed
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP disclosed
US-7902361-B2 Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2011-03-08 US disclosed
EP-1951307-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR Cyclacel Limited (GB) 2008-08-06 EP disclosed
WO-2007054725-A2 COMBINATION OF A CDK-INHIBITOR AND A HDAC-INHIBITOR CYCLACEL LIMITED (GB) 2007-05-18 WO disclosed
US-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy CYCLACEL LIMITED (GB) 2007-01-25 US disclosed
EP-1678171-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP disclosed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 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 (1 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-20070021452-A1 Pyrimidin-4-YL-3, 4-thione compounds and their use in therapy MSRB3, DHFR, CBR3 CDK2 459/4885CDK1 698/4885CCNT1 490/4885

“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.