SCHEMBL2085485

SCHEMBL2085485

CC(=O)NCc1cccc(Nc2nccc(-c3sc(=O)n(C)c3C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.59
CLK1 P49759 1/20 0.59
SYK P43405 3/20 0.52
MKNK2 Q9HBH9 3/20 0.52
AURKB Q96GD4 3/20 0.52
CDK1 P06493 3/20 0.52
AURKA O14965 2/20 0.52
KDR P35968 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
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKD3 O94806 1/20 0.52
MAP4K4 O95819 1/20 0.52
CHEK2 O96017 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
SCHEMBL27664610 0.91 CDK2 (0.55) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2086669 0.89 CDK2 (0.55) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2086230 0.89 CDK2 (0.65) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2086822 0.85 CDK2 (0.59) CDK2CLK1SYKMKNK2AURKB
SCHEMBL5573682 0.84 CDK2 (0.55) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2075981 0.84 CDK2 (0.66) CDK2SYKAURKBCDK1AURKA
SCHEMBL27684105 0.83 CDK2 (0.51) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2087174 0.82 CDK2 (0.66) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2087333 0.82 CDK2 (0.55) CDK2CLK1SYKMKNK2AURKB
SCHEMBL2073966 0.81 CDK2 (0.68) CDK2SYKAURKBCDK1AURKA

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
CN-1898237-A Pyrimidin-4-yl-3, 4-thione compounds and their use in therapy CYCLACEL LTD (GB) 2007-01-17 CN 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 2868/4885SYK 2830/4885

“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.