SCHEMBL4154625

SCHEMBL4154625

CCNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 1.00
CDK9 P50750 7/20 1.00
AURKA O14965 6/20 1.00
AURKB Q96GD4 6/20 1.00
CDK7 P50613 5/20 1.00
CDK1 P06493 4/20 1.00
CDK4 P11802 8/20 0.79
FLT3 P36888 3/20 0.57
WEE1 P30291 2/20 0.57
ALK Q9UM73 2/20 0.57
MKNK2 Q9HBH9 3/20 0.54
MKNK1 Q9BUB5 1/20 0.54
PRKD3 O94806 3/20 0.54
LCK P06239 3/20 0.54
JAK2 O60674 2/20 0.54
RET P07949 2/20 0.54
CHEK1 O14757 1/20 0.54
DAPK3 O43293 1/20 0.54
MAP4K4 O95819 1/20 0.54
PAK4 O96013 1/20 0.54

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
SCHEMBL4156619 0.89 CDK2 (1.00) CDK2CDK9AURKAAURKBCDK7
SCHEMBL4171151 0.88 CDK2 (0.78) CDK2CDK9AURKAAURKBCDK7
SCHEMBL4165787 0.87 CDK2 (0.77) CDK2CDK9AURKAAURKBCDK7
SCHEMBL4162656 0.86 CDK2 (0.75) CDK2CDK9AURKAAURKBCDK7
SCHEMBL4159950 0.85 CDK2 (1.00) CDK2CDK9AURKAAURKBCDK7
SCHEMBL2283248 0.84 CDK2 (0.76) CDK2CDK9AURKAAURKBCDK7
SCHEMBL2289081 0.84 CDK2 (0.76) CDK2CDK9AURKAAURKBCDK7
SCHEMBL2284504 0.84 CDK2 (0.72) CDK2CDK9AURKAAURKBCDK7
SCHEMBL4159675 0.83 CDK2 (0.80) CDK2CDK9AURKAAURKBCDK7
SCHEMBL4803155 0.83 CDK2 (0.71) CDK2CDK9AURKAAURKBCDK7

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 CDK2 1/4885CDK9 34/4885AURKA 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.