SCHEMBL4170770

SCHEMBL4170770

COc1cc(Nc2nccc(-c3sc(Nc4ccccc4)nc3C)n2)cc(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.63
CDK4 P11802 13/20 0.63
CDK1 P06493 8/20 0.60
CDK7 P50613 7/20 0.60
CDK9 P50750 7/20 0.60
AURKA O14965 5/20 0.60
AURKB Q96GD4 5/20 0.60
FLT3 P36888 2/20 0.56
MKNK2 Q9HBH9 2/20 0.56
MKNK1 Q9BUB5 1/20 0.56
CCNA2 P20248 3/20 0.54
PLK1 P53350 1/20 0.54
CCND1 P24385 2/20 0.54
CCND3 P30281 2/20 0.54
CDK6 Q00534 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
GAA P10253 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
SCHEMBL4164019 0.88 CDK2 (0.77) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4175328 0.85 CDK2 (0.58) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4171151 0.85 CDK2 (0.78) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4163989 0.84 CDK2 (0.75) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2286476 0.83 CDK2 (0.74) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4159111 0.82 CDK2 (0.66) CDK2CDK4CDK1CDK7CDK9
SCHEMBL4803155 0.81 CDK2 (0.71) CDK2CDK4CDK1CDK7CDK9
SCHEMBL6159400 0.80 CDK2 (0.75) CDK2CDK4CDK1CDK7CDK9
SCHEMBL2286543 0.79 PIK3CG (0.61) CDK2CDK4CDK1CDK7CDK9
SCHEMBL14562071 0.79 PIK3CG (0.64) CDK2CDK4CDK1CDK7CDK9

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 6 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

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 2/4885CDK1 17/4885

“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.