SCHEMBL4159976

SCHEMBL4159976

Cc1nc(N)sc1-c1ccnc(Nc2cccc(CNS(C)(=O)=O)c2)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.62
CDK4 P11802 16/20 0.62
CDK9 P50750 7/20 0.62
CDK1 P06493 6/20 0.62
CDK7 P50613 6/20 0.62
CCNT1 O60563 5/20 0.62
CCNB1 P14635 4/20 0.62
CCNA2 P20248 4/20 0.62
CCNH P51946 4/20 0.62
AURKA O14965 4/20 0.62
CCNE1 P24864 3/20 0.62
AURKB Q96GD4 3/20 0.62
ABL1 P00519 2/20 0.62
GSK3B P49841 2/20 0.62
CDK5 Q00535 2/20 0.62
CCNB2 O95067 1/20 0.62
CCNE2 O96020 1/20 0.62
CCND1 P24385 1/20 0.62
ABL2 P42684 1/20 0.62
MNAT1 P51948 1/20 0.62

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
SCHEMBL4161727 0.90 CDK2 (0.63) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4168913 0.89 CDK2 (0.58) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2075607 0.88 CDK2 (0.68) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4157501 0.86 CDK2 (0.59) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2074496 0.83 CDK2 (0.67) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2086822 0.82 CDK2 (0.59) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4160812 0.81 CDK2 (0.64) CDK2CDK4CDK9CDK1CDK7
SCHEMBL6157725 0.81 CDK2 (0.83) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4157071 0.80 CDK2 (0.59) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4168106 0.80 CDK2 (0.69) CDK2CDK4CDK9CDK1CDK7

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 2/4885CDK9 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.