SCHEMBL4175328

SCHEMBL4175328

COc1cc(Nc2nccc(-c3sc(NCCc4ccccc4)nc3C)n2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.58
CDK1 P06493 7/20 0.58
CDK9 P50750 7/20 0.58
AURKA O14965 6/20 0.58
AURKB Q96GD4 6/20 0.58
CDK7 P50613 6/20 0.58
CDK4 P11802 9/20 0.54
MKNK2 Q9HBH9 5/20 0.50
FLT3 P36888 4/20 0.50
MKNK1 Q9BUB5 1/20 0.50
GSK3B P49841 2/20 0.48
SYK P43405 2/20 0.48
SRC P12931 1/20 0.48
ZAP70 P43403 1/20 0.48
CCNA2 P20248 3/20 0.46
PLK1 P53350 1/20 0.46
CDC7 O00311 1/20 0.46
PLK4 O00444 1/20 0.46
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46

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
SCHEMBL4162656 0.89 CDK2 (0.75) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4171151 0.85 CDK2 (0.78) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4170770 0.85 CDK2 (0.63) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4164019 0.82 CDK2 (0.77) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4151989 0.80 CDK2 (0.51) CDK2CDK1CDK9AURKAAURKB
SCHEMBL27664996 0.80 CDK2 (0.59) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4803155 0.79 CDK2 (0.71) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4163989 0.79 CDK2 (0.75) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4167924 0.78 CDK2 (0.76) CDK2CDK1CDK9AURKAAURKB
SCHEMBL4159111 0.77 CDK2 (0.66) CDK2CDK1CDK9AURKAAURKB

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.