SCHEMBL5886790

SCHEMBL5886790

Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
MAPK8 P45983 5/20 0.42
EPHX2 P34913 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
CTNNB1 P35222 1/20 0.41
TCF7L2 Q9NQB0 1/20 0.41
RORC P51449 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL5887519 0.94 EPHX2 (0.41) OPRM1MAPK8EPHX2NR1H4RORC
SCHEMBL5887132 0.94 EPHX2 (0.41) OPRM1MAPK8EPHX2NR1H4RORC
SCHEMBL5887414 0.93 CCR1 (0.43) EPHX2NR1H4CTNNB1TCF7L2KMT2A
SCHEMBL5886702 0.93 ALDH1A1 (0.43) OPRM1MAPK8EPHX2NR1H4RORC
SCHEMBL5886829 0.93 RAB9A (0.44) MAPK8EPHX2NR1H4RORCRAB9A
SCHEMBL5887039 0.92 EPHX2 (0.41) OPRM1MAPK8EPHX2NR1H4RORC
SCHEMBL5887027 0.92 KMT2A (0.45) MAPK8EPHX2NR1H4CTNNB1TCF7L2
SCHEMBL5886891 0.92 TP53 (0.44) MAPK8CTNNB1TCF7L2KMT2AALDH1A1
SCHEMBL5887151 0.91 GBA1 (0.39) OPRM1MAPK8EPHX2NR1H4RORC
SCHEMBL5886816 0.91 EPHX2 (0.41) MAPK8EPHX2NR1H4CTNNB1TCF7L2

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 OPRM1 4840/4885MAPK8 770/4885EPHX2 2968/4885

“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.