SCHEMBL5887291

SCHEMBL5887291

CC(=O)c1ccc(N2CCN(c3nc(C)c4ccc(=O)n(-c5ccc(C(=O)NC6CC6)cc5)c4n3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
BRD4 O60885 2/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPK14 Q16539 4/20 0.40
CCNE1 P24864 3/20 0.39
CDK2 P24941 3/20 0.39
MAPK8 P45983 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PARP1 P09874 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5887542 0.93 MAPK8 (0.45) SMYD3BRD4RAB9AMAPK14CCNE1
SCHEMBL5887062 0.93 SMYD3 (0.43) SMYD3BRD4RAB9ANPC1MAPK14
SCHEMBL5887152 0.92 CCNE1 (0.48) SMYD3BRD4RAB9ANPC1CCNE1
SCHEMBL5887109 0.91 MAPT (0.39) SMYD3BRD4RAB9ANPC1MAPK14
SCHEMBL5887242 0.91 BRD4 (0.47) SMYD3BRD4MAPK14CCNE1CDK2
SCHEMBL5886823 0.91 SMYD3 (0.48) SMYD3RAB9ANPC1CCNE1CDK2
SCHEMBL5887033 0.89 MAPK8 (0.40) SMYD3BRD4RAB9ANPC1MAPK14
SCHEMBL5886718 0.89 CCNE1 (0.45) BRD4RAB9ANPC1MAPK14CCNE1
SCHEMBL5887102 0.88 ALDH1A1 (0.40) SMYD3BRD4RAB9ANPC1CCNE1
SCHEMBL5887258 0.86 ALDH1A1 (0.45) RAB9ANPC1MAPK8TSHRSMN1; SMN2

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 2 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

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 SMYD3 2663/4885BRD4 368/4885RAB9A 3217/4885

“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.