SCHEMBL4154329

SCHEMBL4154329

COCCNc1nc(C)c(-c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)s1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.74
CDK1 P06493 17/20 0.74
CDK7 P50613 15/20 0.74
CDK9 P50750 15/20 0.74
CCNT1 O60563 14/20 0.74
CCNB1 P14635 14/20 0.74
CCNA2 P20248 14/20 0.74
CCNH P51946 14/20 0.74
CCNA1 P78396 11/20 0.74
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
CCNE1 P24864 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
CDK4 P11802 4/20 0.52
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
MTOR P42345 2/20 0.50
SMG1 Q96Q15 2/20 0.50

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
SCHEMBL4166874 0.88 CDK2 (0.81) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4158541 0.86 CDK2 (0.63) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4167846 0.85 CDK2 (1.00) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4176487 0.84 CDK2 (0.72) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4156792 0.81 CDK2 (0.59) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4160848 0.81 CDK2 (0.60) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4163369 0.80 CDK2 (0.67) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4166861 0.79 CDK2 (0.68) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4162469 0.79 CDK2 (0.70) CDK2CDK1CDK7CDK9CCNT1
SCHEMBL4156573 0.78 CDK2 (0.64) 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.