SCHEMBL4156619

SCHEMBL4156619

CNc1nc(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 17/20 1.00
CDK9 P50750 14/20 1.00
CDK1 P06493 10/20 1.00
CDK7 P50613 10/20 1.00
CDK4 P11802 8/20 1.00
AURKA O14965 7/20 1.00
AURKB Q96GD4 7/20 1.00
FLT3 P36888 2/20 0.68
MKNK1 Q9BUB5 1/20 0.68
MKNK2 Q9HBH9 1/20 0.68
CCNA2 P20248 8/20 0.64
PLK1 P53350 1/20 0.64
CCNT1 O60563 7/20 0.59
CCNB1 P14635 4/20 0.57
CCNH P51946 4/20 0.57
CCNA1 P78396 3/20 0.57
JAK2 O60674 2/20 0.56
EGFR P00533 1/20 0.56
PIK3CA P42336 1/20 0.56
PIK3CB P42338 1/20 0.56

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
SCHEMBL4154625 0.89 CDK2 (1.00) CDK2CDK9CDK1CDK7CDK4
SCHEMBL4159950 0.88 CDK2 (1.00) CDK2CDK9CDK1CDK7CDK4
SCHEMBL2283248 0.87 CDK2 (0.76) CDK2CDK9CDK1CDK7CDK4
SCHEMBL2289081 0.87 CDK2 (0.76) CDK2CDK9CDK1CDK7CDK4
SCHEMBL4164019 0.87 CDK2 (0.77) CDK2CDK9CDK1CDK7CDK4
SCHEMBL4164452 0.86 CDK2 (0.76) CDK2CDK9CDK1CDK7CDK4
SCHEMBL4159675 0.86 CDK2 (0.80) CDK2CDK9CDK1CDK7CDK4
SCHEMBL2284504 0.84 CDK2 (0.72) CDK2CDK9CDK1CDK7CDK4
SCHEMBL2288182 0.84 CDK2 (0.74) CDK2CDK9CDK1CDK7CDK4
SCHEMBL6159400 0.83 CDK2 (0.75) CDK2CDK9CDK1CDK7CDK4

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 4 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
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 34/4885CDK1 17/4885

“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.