SCHEMBL3771679

SCHEMBL3771679

COc1ccc(-c2cc(C(C)(C)C)cc3nc(-c4ccc(NS(C)(=O)=O)cc4F)cnc23)c(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIT P10721 7/20 0.40
ALOX5AP P20292 6/20 0.37
FEN1 P39748 6/20 0.37
CYP17A1 P05093 4/20 0.35
HAVCR2 Q8TDQ0 1/20 0.33
EPHX2 P34913 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL1702649 0.90 MET (0.35) CYP17A1HAVCR2EPHX2
SCHEMBL16508260 0.87 KIT (0.40) KITALOX5APFEN1CYP17A1HAVCR2
SCHEMBL3765201 0.85 ALOX5AP (0.45) KITALOX5APFEN1
SCHEMBL12302429 0.79 DYRK1B (0.38)
SCHEMBL16508272 0.77 CYP17A1 (0.39) CYP17A1HAVCR2
SCHEMBL1703319 0.75 MET (0.40) ALOX5APFEN1CYP17A1HAVCR2EPHX2
SCHEMBL1702697 0.73 CYP3A4 (0.38) ALOX5APFEN1PGR
SCHEMBL1703193 0.73 SGK1 (0.40) ALOX5APFEN1
SCHEMBL1702674 0.72 CYP3A4 (0.45) ALOX5APFEN1
SCHEMBL16508269 0.72 ALOX5AP (0.45) KITALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP claimed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 US claimed
EP-2440528-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-10-08 EP disclosed
US-8026253-B2 Quinoline inhibitors of HCV polymerase ROCHE PALO ALTO LLC (US) 2011-09-27 US disclosed
WO-2010142656-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-12-16 WO disclosed
US-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS DE VICENTE FIDALGO JAVIER 2010-12-09 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-20100311760-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, XDH, GTF3C4 KIT 3567/4885ALOX5AP 3898/4885FEN1 2189/4885

“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.