SCHEMBL4170843

SCHEMBL4170843

CC(=O)NCc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.77
CDK4 P11802 14/20 0.77
AURKA O14965 8/20 0.77
CDK9 P50750 7/20 0.77
AURKB Q96GD4 7/20 0.77
CDK1 P06493 6/20 0.77
CDK7 P50613 6/20 0.77
PLK1 P53350 2/20 0.67
CCNE1 P24864 2/20 0.61

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
SCHEMBL27684377 0.90 CDK2 (0.64) CDK2CDK4AURKACDK9AURKB
SCHEMBL4162643 0.90 CDK2 (0.74) CDK2CDK4AURKACDK9AURKB
SCHEMBL4158705 0.89 CDK2 (0.82) CDK2CDK4AURKACDK9AURKB
SCHEMBL2075981 0.88 CDK2 (0.66) CDK2CDK4AURKACDK9AURKB
SCHEMBL4162962 0.87 CDK2 (1.00) CDK2CDK4AURKACDK9AURKB
SCHEMBL2076580 0.85 CDK2 (0.74) CDK2CDK4AURKACDK9AURKB
SCHEMBL4165538 0.84 CDK4 (0.69) CDK2CDK4AURKACDK9AURKB
SCHEMBL2086230 0.82 CDK2 (0.65) CDK2CDK4AURKACDK9AURKB
SCHEMBL4161731 0.82 CDK2 (0.69) CDK2CDK4AURKACDK9AURKB
SCHEMBL1808809 0.82 CDK2 (0.72) CDK2CDK4AURKACDK9AURKB

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 2/4885AURKA 271/4885

“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.