SCHEMBL5887063

SCHEMBL5887063

Cc1nc(N2CCN(c3ccccn3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 3/20 0.45
TCF7L2 Q9NQB0 3/20 0.45
AVPR1A P37288 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
EPHX2 P34913 1/20 0.40
BRAF P15056 5/20 0.40
MAPK8 P45983 1/20 0.40
TACR1 P25103 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 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
SCHEMBL5887267 0.92 CTNNB1 (0.45) CTNNB1TCF7L2KDM4ESMN1; SMN2MAPT
SCHEMBL5887120 0.90 CTNNB1 (0.44) CTNNB1TCF7L2KDM4EGAASMN1; SMN2
SCHEMBL5886918 0.90 CTNNB1 (0.43) CTNNB1TCF7L2SMN1; SMN2EPHX2BRAF
SCHEMBL5886856 0.89 TSHR (0.44) CTNNB1TCF7L2KDM4ESMN1; SMN2EPHX2
SCHEMBL5886965 0.89 SLC6A4 (0.46) CTNNB1TCF7L2KDM4EGAASMN1; SMN2
SCHEMBL5886867 0.89 BRAF (0.48) CTNNB1TCF7L2EPHX2BRAFTACR1
SCHEMBL5887146 0.88 CTNNB1 (0.43) CTNNB1TCF7L2SMN1; SMN2EPHX2BRAF
SCHEMBL5886921 0.87 NAMPT (0.43) CTNNB1TCF7L2KDM4EGAASMN1; SMN2
SCHEMBL5886889 0.87 MAPK10 (0.45) SMN1; SMN2EPHX2BRAFMAPK8
SCHEMBL5886869 0.87 HIF1A (0.47) EPHX2ALDH1A1

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 CTNNB1 1452/4885TCF7L2 381/4885AVPR1A 4878/4885

“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.