SCHEMBL2085458

SCHEMBL2085458

Cc1c(-c2ccnc(Nc3cccc(S(=O)(=O)NCc4ccccc4)c3)n2)sc(=O)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.55
CLK1 P49759 1/20 0.55
CDK9 P50750 10/20 0.50
CDK1 P06493 9/20 0.50
CCNT1 O60563 9/20 0.50
CCNB1 P14635 8/20 0.50
CDK7 P50613 6/20 0.50
CCNA2 P20248 5/20 0.50
CCNH P51946 5/20 0.50
CCNA1 P78396 5/20 0.50
MKNK2 Q9HBH9 3/20 0.49
ROCK1 Q13464 2/20 0.49
AURKA O14965 2/20 0.49
MAP4K4 O95819 2/20 0.49
FGFR1 P11362 2/20 0.49
FLT1 P17948 2/20 0.49
KDR P35968 2/20 0.49
FLT3 P36888 2/20 0.49
MAPK8 P45983 2/20 0.49
MAPK9 P45984 2/20 0.49

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
SCHEMBL27664540 0.92 CDK2 (0.51) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2086771 0.90 CDK2 (0.58) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2086251 0.89 CDK2 (0.54) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2086940 0.88 CDK2 (0.51) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2086822 0.86 CDK2 (0.59) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2086222 0.85 CDK2 (0.56) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2086549 0.84 CDK2 (0.53) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2087887 0.84 CDK1 (0.67) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL5136323 0.83 CDK2 (0.47) CDK2CLK1CDK9CDK1CCNT1
SCHEMBL2087333 0.83 CDK2 (0.55) CDK2CLK1CDK9CDK1CCNT1

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 13 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
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
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 2868/4885CDK9 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.