SCHEMBL4160808

SCHEMBL4160808

Cc1nc(C)c(-c2ccnc(Nc3cccc(CNC(=O)c4ccccc4)c3)n2)s1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.64
CDK4 P11802 15/20 0.64
PLK1 P53350 1/20 0.53
AURKA O14965 5/20 0.52
CDK1 P06493 5/20 0.52
CDK7 P50613 5/20 0.52
CDK9 P50750 5/20 0.52
AURKB Q96GD4 4/20 0.52
CCNE1 P24864 1/20 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
SCHEMBL27684382 0.92 CDK2 (0.60) CDK2CDK4PLK1AURKACDK1
SCHEMBL2075981 0.90 CDK2 (0.66) CDK2CDK4PLK1AURKACDK1
SCHEMBL4162202 0.89 CDK2 (0.61) CDK2CDK4PLK1AURKACDK1
SCHEMBL2086669 0.86 CDK2 (0.55) CDK2CDK4AURKACDK1CDK7
SCHEMBL1806918 0.83 CDK2 (0.74) CDK2CDK4PLK1AURKACDK1
SCHEMBL4161727 0.82 CDK2 (0.63) CDK2CDK4PLK1AURKACDK1
SCHEMBL4169340 0.81 CDK2 (0.74) CDK2CDK4PLK1AURKACDK1
SCHEMBL4160096 0.81 CDK2 (0.70) CDK2CDK4PLK1AURKACDK1
SCHEMBL2073966 0.80 CDK2 (0.68) CDK2CDK4PLK1AURKACDK1
SCHEMBL2284091 0.79 CDK2 (1.00) CDK2CDK4PLK1AURKACDK1

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 6 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

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.