SCHEMBL5887102

SCHEMBL5887102

Cc1nc(N2CCNCC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NC2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 4/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
HSD17B10 Q99714 3/20 0.40
USP2 O75604 3/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
CYP2C9 P11712 1/20 0.39
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
USP28 Q96RU2 2/20 0.39
USP25 Q9UHP3 2/20 0.39
SMYD3 Q9H7B4 1/20 0.39
MAPK8 P45983 1/20 0.39
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5886823 0.92 SMYD3 (0.48) HPGDCCNE1CDK2SMYD3MAPK8
SCHEMBL5887242 0.90 BRD4 (0.47) CCNE1CDK2SMYD3BRD4
SCHEMBL5887291 0.88 SMYD3 (0.43) ALDH1A1CCNE1CDK2SMYD3MAPK8
SCHEMBL5887542 0.88 MAPK8 (0.45) ALDH1A1HPGDCCNE1CDK2SMYD3
SCHEMBL5886718 0.88 CCNE1 (0.45) CCNE1CDK2MAPK8RAB9ANPC1
SCHEMBL5887109 0.88 MAPT (0.39) ALDH1A1HPGDCYP2C9CCNE1CDK2
SCHEMBL5887033 0.88 MAPK8 (0.40) CCNE1CDK2SMYD3MAPK8RAB9A
SCHEMBL5887062 0.88 SMYD3 (0.43) ALDH1A1CCNE1CDK2SMYD3MAPK8
SCHEMBL5887152 0.87 CCNE1 (0.48) CCNE1CDK2SMYD3RAB9ANPC1
SCHEMBL5886983 0.86 MAPK8 (0.40) CCNE1CDK2SMYD3MAPK8RAB9A

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 ALDH1A1 1860/4885CYP1A2 3347/4885CASP1 2425/4885

“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.