SCHEMBL4159874

SCHEMBL4159874

CC(=O)NCc1cccc(Nc2nccc(-c3sc(-c4cccs4)nc3C)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.56
CDK4 P11802 11/20 0.56
CDK9 P50750 6/20 0.56
CDK1 P06493 5/20 0.56
CDK7 P50613 5/20 0.56
AURKA O14965 2/20 0.56
AURKB Q96GD4 2/20 0.56
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SYK P43405 3/20 0.48
CCNT1 O60563 5/20 0.46
CCNA2 P20248 5/20 0.46
CCNB1 P14635 4/20 0.46
CCNH P51946 4/20 0.46
CCNA1 P78396 2/20 0.45
NPC1 O15118 1/20 0.44
CCNB2 O95067 1/20 0.44

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
SCHEMBL2075981 0.86 CDK2 (0.66) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2073966 0.85 CDK2 (0.68) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4159128 0.85 CDK4 (0.56) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4164479 0.84 CDK2 (0.56) CDK2CDK4CDK9CDK1CDK7
SCHEMBL2075365 0.83 CDK2 (0.80) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4154342 0.83 CDK2 (0.57) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4160096 0.81 CDK2 (0.70) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4163431 0.80 CDK2 (0.51) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4176557 0.79 CDK2 (0.51) CDK2CDK4CDK9CDK1CDK7
SCHEMBL4176556 0.78 CDK2 (0.64) 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.