SCHEMBL2086822

SCHEMBL2086822

Cc1c(-c2ccnc(Nc3cccc(CNS(C)(=O)=O)c3)n2)sc(=O)n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.59
CLK1 P49759 1/20 0.59
JAK2 O60674 5/20 0.52
JAK3 P52333 5/20 0.52
MKNK2 Q9HBH9 3/20 0.52
CDK1 P06493 3/20 0.52
AURKB Q96GD4 3/20 0.52
KDR P35968 2/20 0.52
AURKA O14965 2/20 0.52
GSK3B P49841 2/20 0.52
CDK5 Q00535 2/20 0.52
CDC7 O00311 1/20 0.52
PLK4 O00444 1/20 0.52
IKBKB O14920 1/20 0.52
CHUK O15111 1/20 0.52
MAPK13 O15264 1/20 0.52
DAPK3 O43293 1/20 0.52
DYRK3 O43781 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKD3 O94806 1/20 0.52

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
SCHEMBL2087333 0.89 CDK2 (0.55) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL2085458 0.86 CDK2 (0.55) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL2085485 0.85 CDK2 (0.59) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL4161727 0.84 CDK2 (0.63) CDK2CDK1AURKBAURKACCNT1
SCHEMBL4159976 0.82 CDK2 (0.62) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL2086669 0.82 CDK2 (0.55) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL2086251 0.81 CDK2 (0.54) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL2075607 0.81 CDK2 (0.68) CDK2CDK1AURKBAURKAGSK3B
SCHEMBL2087887 0.81 CDK1 (0.67) CDK2CLK1JAK2JAK3MKNK2
SCHEMBL27664540 0.81 CDK2 (0.51) CDK2CLK1JAK2JAK3MKNK2

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 14 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
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 459/4885CLK1 2868/4885JAK2 229/4885

“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.