SCHEMBL2086771

SCHEMBL2086771

Cc1c(-c2ccnc(Nc3ccc(S(=O)(=O)NCc4ccccc4)cc3)n2)sc(=O)n1C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.58
CLK1 P49759 1/20 0.58
CCNT1 O60563 2/20 0.54
CDK9 P50750 2/20 0.54
CDK7 P50613 1/20 0.54
MKNK2 Q9HBH9 2/20 0.50
CDK4 P11802 4/20 0.48
IKBKB O14920 4/20 0.44
GSK3B P49841 2/20 0.44
DKK1 O94907 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL27684108 0.91 CDK2 (0.54) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL2085458 0.90 CDK2 (0.55) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL2085989 0.86 IKBKB (0.60) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL4166880 0.84 CDK2 (0.66) CDK2CDK9CDK7CDK4GSK3B
SCHEMBL2083985 0.84 CDK2 (0.69) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL4157071 0.83 CDK2 (0.59) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL4160005 0.83 CDK2 (0.61) CDK2CCNT1CDK9CDK7CDK4
SCHEMBL27664540 0.82 CDK2 (0.51) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL2086822 0.81 CDK2 (0.59) CDK2CLK1CCNT1CDK9CDK7
SCHEMBL4158693 0.80 CDK2 (0.65) CDK2CCNT1CDK9CDK7CDK4

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
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
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 2868/4885CCNT1 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.