SCHEMBL4157071

SCHEMBL4157071

Cc1nc(N)sc1-c1ccnc(Nc2ccc(S(=O)(=O)NCc3ccccc3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.59
CDK4 P11802 12/20 0.59
PLK1 P53350 3/20 0.59
CCNE1 P24864 3/20 0.57
CDK9 P50750 7/20 0.54
AURKA O14965 6/20 0.54
CDK1 P06493 6/20 0.54
CDK7 P50613 6/20 0.54
AURKB Q96GD4 5/20 0.54
GSK3B P49841 4/20 0.54
CCNT1 O60563 3/20 0.54
CCNA2 P20248 3/20 0.54
ABL1 P00519 2/20 0.54
CDK5 Q00535 2/20 0.54
CCNB1 P14635 2/20 0.54
CCNH P51946 2/20 0.54
CCNB2 O95067 1/20 0.54
CCNE2 O96020 1/20 0.54
CCND1 P24385 1/20 0.54
ABL2 P42684 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
SCHEMBL4166880 0.91 CDK2 (0.66) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL4160005 0.89 CDK2 (0.61) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL4158693 0.86 CDK2 (0.65) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL4158345 0.86 CDK2 (0.66) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL4163372 0.83 CDK2 (0.65) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL2086771 0.83 CDK2 (0.58) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2074426 0.82 CDK2 (0.71) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL2283342 0.82 CDK2 (0.77) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL27664850 0.81 CDK2 (0.64) CDK2CDK4PLK1CCNE1CDK9
SCHEMBL6367646 0.81 CDK2 (0.73) CDK2CDK4PLK1CCNE1CDK9

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 2/4885PLK1 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.