SCHEMBL4159675

SCHEMBL4159675

COc1cc(Nc2nccc(-c3sc(N)nc3C)n2)cc(OC)c1OC

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 13/20 0.80
CDK4 P11802 11/20 0.80
AURKA O14965 8/20 0.80
CDK9 P50750 8/20 0.80
CDK1 P06493 7/20 0.80
AURKB Q96GD4 7/20 0.80
CDK7 P50613 7/20 0.80
PLK1 P53350 1/20 0.64
CCNE1 P24864 3/20 0.61
EGFR P00533 3/20 0.57
JAK2 O60674 2/20 0.57
PTK2B Q14289 2/20 0.57
PIK3CA P42336 1/20 0.57
PIK3CB P42338 1/20 0.57
PIK3CG P48736 1/20 0.57
CCNT1 O60563 2/20 0.57
ABL1 P00519 2/20 0.57
GSK3B P49841 2/20 0.57
CDK5 Q00535 2/20 0.57
CCNB2 O95067 1/20 0.57

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
SCHEMBL4159950 0.89 CDK2 (1.00) CDK2CDK4AURKACDK9CDK1
SCHEMBL4159111 0.86 CDK2 (0.66) CDK2CDK4AURKACDK9CDK1
SCHEMBL4172304 0.86 CDK2 (0.65) CDK2CDK4AURKACDK9CDK1
SCHEMBL4156619 0.86 CDK2 (1.00) CDK2CDK4AURKACDK9CDK1
SCHEMBL2281574 0.84 CDK2 (0.60) CDK2CDK4AURKACDK9CDK1
SCHEMBL2288182 0.83 CDK2 (0.74) CDK2CDK4AURKACDK9CDK1
SCHEMBL4154625 0.83 CDK2 (1.00) CDK2CDK4AURKACDK9CDK1
SCHEMBL4798853 0.83 CDK2 (0.74) CDK2CDK4AURKACDK9CDK1
SCHEMBL2280972 0.83 CDK2 (0.58) CDK2CDK4AURKACDK9CDK1
SCHEMBL2289081 0.81 CDK2 (0.76) CDK2CDK4AURKACDK9CDK1

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 2/4885AURKA 271/4885

“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.