SCHEMBL4164508

SCHEMBL4164508

CNc1nc(C)c(-c2ccnc(Nc3cccc(S(=O)(=O)Nc4cccc(OC)c4)c3)n2)s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.71
CDK1 P06493 14/20 0.71
CDK9 P50750 14/20 0.71
CCNA2 P20248 14/20 0.71
CDK7 P50613 13/20 0.71
CCNT1 O60563 13/20 0.71
CCNB1 P14635 12/20 0.71
CCNH P51946 12/20 0.71
CCNA1 P78396 10/20 0.71
CDK4 P11802 4/20 0.61
FLT3 P36888 2/20 0.58
MKNK2 Q9HBH9 2/20 0.58
MKNK1 Q9BUB5 1/20 0.58
AURKA O14965 2/20 0.58
AURKB Q96GD4 2/20 0.58
SYK P43405 2/20 0.54
CDC7 O00311 1/20 0.54
PLK4 O00444 1/20 0.54
IKBKB O14920 1/20 0.54
CHUK O15111 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
SCHEMBL2286476 0.90 CDK2 (0.74) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4164565 0.86 CDK2 (0.83) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4163044 0.84 CDK2 (0.83) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4167846 0.84 CDK2 (1.00) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4168095 0.83 CDK2 (0.78) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4176487 0.83 CDK2 (0.72) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4160730 0.82 CDK2 (0.76) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4163557 0.81 CDK2 (0.75) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL4164019 0.81 CDK2 (0.77) CDK2CDK1CDK9CCNA2CDK7
SCHEMBL2283576 0.80 CDK2 (0.59) CDK2CDK1CDK9CCNA2CDK7

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 17/4885CDK9 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.