SCHEMBL4151994

SCHEMBL4151994

CNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(C)nc3C)n2)c1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.69
CDK1 P06493 7/20 0.69
CDK7 P50613 7/20 0.69
CDK9 P50750 7/20 0.69
CCNT1 O60563 3/20 0.69
CCNB1 P14635 3/20 0.69
CCNA2 P20248 3/20 0.69
CCNH P51946 3/20 0.69
CCNA1 P78396 3/20 0.69
CDK4 P11802 13/20 0.67
AURKA O14965 4/20 0.60
AURKB Q96GD4 3/20 0.60
TNNI3K Q59H18 2/20 0.60
PLK1 P53350 1/20 0.56
CCNE1 P24864 1/20 0.54

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
SCHEMBL4164565 0.91 CDK2 (0.83) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4168106 0.90 CDK2 (0.69) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4163025 0.89 CDK2 (0.69) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4167257 0.87 CDK2 (0.64) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4162469 0.86 CDK2 (0.70) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4160848 0.85 CDK2 (0.60) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4163044 0.82 CDK2 (0.83) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4167846 0.82 CDK2 (1.00) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4168095 0.81 CDK2 (0.78) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4160730 0.81 CDK2 (0.76) CDK2CDK1CDK7CDK9CCNT1

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 1/4885CDK1 17/4885CDK7 26/4885

“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.