SCHEMBL2086940

SCHEMBL2086940

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.51
CDK1 P06493 8/20 0.51
CCNT1 O60563 7/20 0.51
CDK7 P50613 7/20 0.51
CDK9 P50750 7/20 0.51
CCNB1 P14635 6/20 0.51
CCNA2 P20248 6/20 0.51
CCNH P51946 6/20 0.51
CCNA1 P78396 5/20 0.51
MKNK2 Q9HBH9 3/20 0.51
IKBKB O14920 3/20 0.51
CDC7 O00311 1/20 0.51
PLK4 O00444 1/20 0.51
AURKA O14965 1/20 0.51
CHUK O15111 1/20 0.51
MAPK13 O15264 1/20 0.51
DAPK3 O43293 1/20 0.51
DYRK3 O43781 1/20 0.51
JAK2 O60674 1/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL2086251 0.91 CDK2 (0.54) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL2086222 0.91 CDK2 (0.56) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL27664540 0.90 CDK2 (0.51) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL2085989 0.89 IKBKB (0.60) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL2085458 0.88 CDK2 (0.55) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL2086549 0.85 CDK2 (0.53) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL2087887 0.85 CDK1 (0.67) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL4167257 0.84 CDK2 (0.64) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL4163557 0.83 CDK2 (0.75) CDK2CDK1CCNT1CDK7CDK9
SCHEMBL4170730 0.83 CDK2 (0.61) CDK2CDK1CCNT1CDK7CDK9

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 12 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
JP-2007509117-A 2007-04-12 JP 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-A1 PYRIMIDIN-4-YL-3,4-THIONE COMPOUNDS AND THEIR USE IN THERAPY Cyclacel Limited (GB) 2006-07-12 EP claimed
WO-2005042525-A1 PYRIMIDIN-4-YL-3, 4-THIONE COMPOUNDS AND THEIR USE IN THERAPY CYCLACEL LIMITED (GB) 2005-05-12 WO 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
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.