SCHEMBL4170533

SCHEMBL4170533

COc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 10/20 0.64
FLT3 P36888 5/20 0.64
MKNK1 Q9BUB5 4/20 0.64
OPRM1 P35372 1/20 0.64
CDK2 P24941 9/20 0.61
CDK4 P11802 7/20 0.61
AURKA O14965 3/20 0.61
CDK1 P06493 3/20 0.61
CDK7 P50613 3/20 0.61
CDK9 P50750 3/20 0.61
AURKB Q96GD4 2/20 0.61
PLK1 P53350 1/20 0.55

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
SCHEMBL4158859 0.91 MKNK2 (0.61) MKNK2FLT3MKNK1CDK2CDK4
SCHEMBL6157082 0.89 MKNK2 (0.62) MKNK2FLT3MKNK1CDK2CDK4
SCHEMBL4160769 0.85 MKNK2 (0.66) MKNK2FLT3MKNK1OPRM1CDK2
SCHEMBL6156623 0.83 CDK2 (0.75) CDK2CDK4AURKACDK1CDK7
SCHEMBL4163989 0.82 CDK2 (0.75) CDK2CDK4AURKACDK1CDK7
SCHEMBL6156552 0.82 CDK2 (0.72) MKNK2FLT3CDK2CDK4AURKA
SCHEMBL6159434 0.79 CDK2 (0.71) MKNK2FLT3MKNK1CDK2CDK4
SCHEMBL18550629 0.78 OPRM1 (1.00) OPRM1
SCHEMBL2288624 0.77 MEN1 (0.67) MKNK2FLT3MKNK1CDK2CDK4
SCHEMBL6156615 0.77 CDK2 (0.70) CDK2CDK4AURKACDK1CDK7

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 MKNK2 330/4885FLT3 618/4885MKNK1 283/4885

“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.