SCHEMBL2086565

SCHEMBL2086565

Cc1c(-c2ccnc(Nc3ccc(Cl)c(CO)c3)n2)sc(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.55
CDK7 P50613 4/20 0.55
CDK9 P50750 4/20 0.55
CCNT1 O60563 2/20 0.55
CLK1 P49759 1/20 0.52
MKNK2 Q9HBH9 3/20 0.52
AURKB Q96GD4 4/20 0.48
CDK1 P06493 4/20 0.48
AURKA O14965 3/20 0.48
KDR P35968 2/20 0.48
SYK P43405 2/20 0.48
MAPK1 P28482 2/20 0.48
CDC7 O00311 1/20 0.48
PLK4 O00444 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
MAPK13 O15264 1/20 0.48
DAPK3 O43293 1/20 0.48
DYRK3 O43781 1/20 0.48
JAK2 O60674 1/20 0.48

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
SCHEMBL2086962 0.87 CDK2 (0.60) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL5700688 0.82 CDK2 (0.55) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL2085982 0.82 CDK2 (0.55) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL2086279 0.82 CDK2 (0.67) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL2075982 0.82 CDK2 (0.67) CDK2CDK7CDK9AURKBCDK1
SCHEMBL5475117 0.80 CDK2 (0.57) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL2087388 0.80 CDK2 (0.67) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL2087406 0.79 CDK2 (0.61) CDK2CDK7CDK9CCNT1CLK1
SCHEMBL2076916 0.79 CDK2 (0.66) CDK2CDK7CDK9CCNT1MKNK2
SCHEMBL2084100 0.79 CDK2 (0.60) CDK2CDK7CDK9CCNT1CLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678171-B1 2-AMINO-4-THIAZOLONE-PYRIMIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS CYCLACEL LTD (GB) 2016-09-14 EP claimed
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
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 459/4885CDK7 1077/4885CDK9 1001/4885

“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.