SCHEMBL5887152

SCHEMBL5887152

Cc1nc(N2CCN(c3ccc(F)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.48
CDK2 P24941 9/20 0.48
BRD4 O60885 2/20 0.43
SMYD3 Q9H7B4 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PDE4B Q07343 1/20 0.41
PDE4D Q08499 1/20 0.41
HTR2A P28223 3/20 0.41
DRD3 P35462 3/20 0.41
PAK1 Q13153 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK7 P50613 1/20 0.41
CCNH P51946 1/20 0.41
MNAT1 P51948 1/20 0.41
CDK6 Q00534 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL5887291 0.92 SMYD3 (0.43) CCNE1CDK2BRD4SMYD3NPC1
SCHEMBL5887542 0.92 MAPK8 (0.45) CCNE1CDK2BRD4SMYD3PDE4B
SCHEMBL5887062 0.92 SMYD3 (0.43) CCNE1CDK2BRD4SMYD3NPC1
SCHEMBL5887004 0.91 CCNE1 (0.47) CCNE1CDK2CNR1CNR2PDE4B
SCHEMBL5887242 0.90 BRD4 (0.47) CCNE1CDK2BRD4SMYD3HTR2A
SCHEMBL5886823 0.90 SMYD3 (0.48) CCNE1CDK2SMYD3NPC1RAB9A
SCHEMBL5886718 0.88 CCNE1 (0.45) CCNE1CDK2BRD4PDE4BPDE4D
SCHEMBL5887109 0.88 MAPT (0.39) CCNE1CDK2BRD4SMYD3PAK1
SCHEMBL5887033 0.88 MAPK8 (0.40) CCNE1CDK2BRD4SMYD3PAK1
SCHEMBL5887102 0.87 ALDH1A1 (0.40) CCNE1CDK2BRD4SMYD3PAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 US claimed
US-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors PHARMACIA ITALIA S.P.A. 2004-01-15 US claimed
US-7019002-B2 Substituted on 8th position with benzoic acid, ester or amide groups; anticancer agents PHARMACIA & UPJOHN, S.P.A. (IT) 2006-03-28 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-20040009993-A1 Pyridopyrimidinones derivatives as telomerase inhibitors TERT, TERF2, TERF2IP CCNE1 559/4885CDK2 35/4885BRD4 368/4885

“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.