SCHEMBL4429167

SCHEMBL4429167

COc1ccccc1NC(=O)Nc1cccc(-c2nc(SC)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.55
LHCGR P22888 8/20 0.55
TSHR P16473 1/20 0.55
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
FSHR P23945 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5037288 0.90 LHCGR (0.70) BRAFLHCGRTSHRFSHRMEN1
SCHEMBL27567548 0.88 BRAF (0.54) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL4421622 0.85 LHCGR (0.60) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL6217358 0.82 LHCGR (0.57) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL4911478 0.82 BRAF (0.72) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL4422658 0.82 LHCGR (0.58) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL4422865 0.81 LHCGR (0.54) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL4430436 0.81 LHCGR (0.77) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL5024555 0.81 LHCGR (0.55) BRAFLHCGRTSHRPDE4APDE4B
SCHEMBL5030974 0.80 LHCGR (0.53) BRAFLHCGRTSHRPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US 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 BRAF 4474/4885LHCGR 13/4885TSHR 1000/4885
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.