SCHEMBL4154323

SCHEMBL4154323

Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(Cc5ccccc5)CC4)cc3)n2)s1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.82
CDK2 P24941 16/20 0.72
CCNE1 P24864 3/20 0.72
AURKA O14965 12/20 0.69
AURKB Q96GD4 11/20 0.69
CDK4 P11802 11/20 0.69
CDK9 P50750 11/20 0.67
CDK7 P50613 7/20 0.67
CDK1 P06493 6/20 0.67
WEE1 P30291 5/20 0.58
FLT3 P36888 4/20 0.58
ACVR1 Q04771 4/20 0.58
ALK Q9UM73 4/20 0.58
CHEK1 O14757 3/20 0.58
DAPK3 O43293 3/20 0.58
JAK2 O60674 3/20 0.58
PRKD3 O94806 3/20 0.58
PAK4 O96013 3/20 0.58
ABL1 P00519 3/20 0.58
FYN P06241 3/20 0.58

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
SCHEMBL4168788 0.91 GSK3B (0.88) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL2077092 0.90 GSK3B (1.00) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL4160054 0.89 GSK3B (0.84) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL4165464 0.87 GSK3B (0.81) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL2075743 0.85 CDK2 (0.78) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL2086730 0.85 GSK3B (0.70) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL4166368 0.85 CDK2 (0.74) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL2075987 0.84 CDK2 (1.00) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL6209137 0.84 CDK2 (0.74) GSK3BCDK2CCNE1AURKAAURKB
SCHEMBL4165439 0.84 CDK2 (0.84) GSK3BCDK2CCNE1AURKAAURKB

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 GSK3B 829/4885CDK2 1/4885CCNE1 97/4885

“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.