SCHEMBL4170636

SCHEMBL4170636

COc1ccc(Nc2nccc(-c3sc(-c4cccnc4)nc3C)n2)cc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 5/20 0.54
PRKD3 O94806 1/20 0.54
PRKCG P05129 1/20 0.54
PRKCB P05771 1/20 0.54
LCK P06239 1/20 0.54
PRKCH P24723 1/20 0.54
PRKCI P41743 1/20 0.54
ZAP70 P43403 1/20 0.54
PRKCE Q02156 1/20 0.54
PRKCQ Q04759 1/20 0.54
PRKCZ Q05513 1/20 0.54
PRKCD Q05655 1/20 0.54
PRKD1 Q15139 1/20 0.54
CDK2 P24941 7/20 0.52
CDK4 P11802 6/20 0.52
AURKA O14965 4/20 0.52
CDK1 P06493 4/20 0.52
CDK7 P50613 4/20 0.52
CDK9 P50750 4/20 0.52
AURKB Q96GD4 4/20 0.52

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
SCHEMBL4159124 0.88 ZAP70 (0.72) PRKCAPRKD3PRKCGPRKCBLCK
SCHEMBL4164771 0.85 ZAP70 (0.54) PRKCAPRKD3PRKCGPRKCBLCK
SCHEMBL27720404 0.83 CDK2 (0.67) PRKCAPRKCDCDK2CDK4AURKA
SCHEMBL4170629 0.82 IGF1R (0.53) PRKCAPRKD3PRKCGPRKCBLCK
SCHEMBL6156440 0.82 CDK2 (0.67) PRKCAPRKCDCDK2CDK4AURKA
SCHEMBL4164452 0.82 CDK2 (0.76) PRKD3CDK2CDK4AURKACDK1
SCHEMBL4164547 0.81 ACVR1 (0.53) PRKCAPRKD3LCKCDK2CDK4
SCHEMBL4172304 0.81 CDK2 (0.65) PRKD3LCKCDK2CDK4AURKA
SCHEMBL4164507 0.80 CDK4 (0.52) PRKCACDK2CDK4AURKACDK1
SCHEMBL4157090 0.80 CLK1 (0.57) PRKCACDK2CDK4AURKACDK1

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 PRKCA 279/4885PRKD3 156/4885PRKCG 438/4885

“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.