SCHEMBL4159897

SCHEMBL4159897

Cc1nc(C)c(-c2ccnc(Nc3ccc(S(=O)(=O)NCCO)cc3)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.64
CDK4 P11802 9/20 0.64
PLK1 P53350 2/20 0.64
IKBKB O14920 3/20 0.63
AURKA O14965 6/20 0.62
CDK9 P50750 5/20 0.62
AURKB Q96GD4 5/20 0.62
CDK1 P06493 4/20 0.62
CDK7 P50613 4/20 0.62
CCNE1 P24864 2/20 0.59
CCNA2 P20248 1/20 0.53
CA12 O43570 1/20 0.52
ABL1 P00519 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 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
SCHEMBL4158345 0.90 CDK2 (0.66) CDK2CDK4PLK1IKBKBAURKA
SCHEMBL4157053 0.90 CDK2 (0.67) CDK2CDK4PLK1IKBKBAURKA
SCHEMBL4160082 0.90 CDK2 (0.65) CDK2CDK4PLK1AURKACDK9
SCHEMBL4161781 0.89 CDK2 (0.67) CDK2CDK4PLK1AURKACDK9
SCHEMBL4167257 0.88 CDK2 (0.64) CDK2CDK4PLK1IKBKBAURKA
SCHEMBL4167251 0.88 CDK2 (0.63) CDK2CDK4PLK1IKBKBAURKA
SCHEMBL27664850 0.88 CDK2 (0.64) CDK2CDK4PLK1IKBKBAURKA
SCHEMBL4166880 0.85 CDK2 (0.66) CDK2CDK4PLK1AURKACDK9
SCHEMBL4801426 0.85 CDK2 (0.72) CDK2CDK4PLK1AURKACDK9
SCHEMBL2073844 0.84 CDK2 (0.72) CDK2CDK4PLK1AURKACDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US claimed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP claimed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 WO claimed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
US-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2009-05-28 US disclosed
EP-1756098-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2007-02-28 EP disclosed
WO-2005116025-A2 2-SUBSTITUTED-4-HETEROARYL-PYRIMIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2005-12-08 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-20090137572-A1 2-substituted-4-heteroaryl-pyrimidines useful for the treatment of proliferative disorders CDK2, CDK4, CDK20 CDK2 1/4885CDK4 2/4885PLK1 30/4885

“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.