SCHEMBL4428981

SCHEMBL4428981

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.53
LHCGR P22888 6/20 0.51
TSHR P16473 1/20 0.49
FSHR P23945 1/20 0.48
PDE4A P27815 3/20 0.45
PDE4B Q07343 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
IKBKB O14920 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL4429274 0.90 LHCGR (0.66) BRAFLHCGRTSHRFSHR
SCHEMBL5030719 0.88 BRAF (0.51) BRAFLHCGRTSHRFSHR
SCHEMBL5569916 0.87 BRAF (0.51) BRAFLHCGRTSHRFSHRPDE4A
SCHEMBL4425219 0.87 BRAF (0.55) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4421622 0.83 LHCGR (0.60) BRAFLHCGRTSHRFSHRPDE4A
SCHEMBL5030680 0.82 LHCGR (0.53) BRAFLHCGRTSHRFSHRPDE4A
SCHEMBL5026102 0.82 LHCGR (0.53) BRAFLHCGRTSHRFSHRPDE4A
SCHEMBL5024538 0.81 LHCGR (0.52) BRAFLHCGRTSHRFSHRPDE4A
SCHEMBL5024555 0.81 LHCGR (0.55) BRAFLHCGRTSHRFSHRPDE4A
SCHEMBL6217358 0.81 LHCGR (0.57) BRAFLHCGRTSHRFSHRPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN claimed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN 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
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN disclosed
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN 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-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR BRAF 4242/4885LHCGR 10/4885TSHR 517/4885

“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.