SCHEMBL4429274

SCHEMBL4429274

CSc1nc(-c2cccc(NC(=O)N3CCOCC3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 13/20 0.66
TSHR P16473 2/20 0.64
FSHR P23945 2/20 0.61
RXFP1 Q9HBX9 1/20 0.43
BRAF P15056 1/20 0.42

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
SCHEMBL4428981 0.90 BRAF (0.53) LHCGRTSHRFSHRBRAF
SCHEMBL30673523 0.89 LHCGR (0.64) LHCGRTSHRFSHR
SCHEMBL5026884 0.89 LHCGR (0.64) LHCGRTSHRFSHR
SCHEMBL5036580 0.89 LHCGR (0.50) LHCGRTSHRFSHRRXFP1BRAF
SCHEMBL4563299 0.88 LHCGR (0.64) LHCGRTSHRFSHRBRAF
SCHEMBL4425902 0.84 LHCGR (0.78) LHCGRTSHRFSHRBRAF
SCHEMBL5028832 0.83 LHCGR (0.67) LHCGRTSHRFSHR
SCHEMBL5028842 0.83 LHCGR (0.67) LHCGRTSHRFSHR
SCHEMBL30673524 0.83 LHCGR (0.67) LHCGRTSHRFSHR
SCHEMBL30673520 0.83 LHCGR (0.67) LHCGRTSHRFSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322651-B1 BICYCLIC HETEROAROMATIC COMPOUNDS ORGANON NV (NL) 2008-01-23 EP claimed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 US claimed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 US claimed
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
EP-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
EP-1322651-B1 BICYCLIC HETEROAROMATIC COMPOUNDS ORGANON NV (NL) 2008-01-23 EP disclosed
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 US disclosed
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 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 (2 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 13/4885TSHR 1000/4885FSHR 3/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885FSHR 3/4885

“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.