SCHEMBL4168095

SCHEMBL4168095

CCNS(=O)(=O)c1cccc(Nc2nccc(-c3sc(NC)nc3C)n2)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.78
CCNA2 P20248 18/20 0.78
CDK9 P50750 18/20 0.78
CCNT1 O60563 17/20 0.78
CDK1 P06493 17/20 0.78
CDK7 P50613 17/20 0.78
CCNB1 P14635 16/20 0.78
CCNH P51946 16/20 0.78
CCNA1 P78396 12/20 0.78
CDK4 P11802 4/20 0.66
PLK1 P53350 1/20 0.57
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
CCNB2 O95067 1/20 0.54
CCNE2 O96020 1/20 0.54
CCNE1 P24864 1/20 0.54
CCNB3 Q8WWL7 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
SCHEMBL4166861 0.94 CDK2 (0.68) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4163557 0.91 CDK2 (0.75) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4164565 0.90 CDK2 (0.83) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4160812 0.89 CDK2 (0.64) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4176487 0.88 CDK2 (0.72) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4163044 0.88 CDK2 (0.83) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4162469 0.88 CDK2 (0.70) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4167846 0.87 CDK2 (1.00) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4156573 0.87 CDK2 (0.64) CDK2CCNA2CDK9CCNT1CDK1
SCHEMBL4160730 0.86 CDK2 (0.76) CDK2CCNA2CDK9CCNT1CDK1

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 10 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
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN 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
CN-1989138-A 2-Substituted-4-heteroaryl-pyrimidines useful in the treatment of proliferative diseases CYCLACEL LTD (GB) 2007-06-27 CN 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 1/4885CCNA2 25/4885CDK9 34/4885

“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.