SCHEMBL4423898

SCHEMBL4423898

COc1cccc(-c2nc(SC)nc3ccc(C(=O)O)c(N)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 5/20 0.55
TSHR P16473 1/20 0.55
LMNA P02545 2/20 0.44
ADORA2A P29274 1/20 0.43
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
IKBKB O14920 1/20 0.41
DHODH Q02127 2/20 0.41
BRAF P15056 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PIK3CG P48736 1/20 0.40
HSD17B10 Q99714 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
GPR35 Q9HC97 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL7143226 0.92 LHCGR (0.51) LHCGRTSHRLMNAKMT2AMAPT
SCHEMBL4418728 0.92 LHCGR (0.57) LHCGRTSHRADORA2AMAPTRXFP1
SCHEMBL4430395 0.88 LHCGR (0.51) LHCGRTSHRLMNAKMT2AMAPT
SCHEMBL4432167 0.87 LHCGR (0.54) LHCGRTSHRLMNAMAPTHSD17B10
SCHEMBL4423221 0.87 LHCGR (0.41) LHCGRTSHRLMNAKMT2AMAPT
SCHEMBL4423875 0.86 LHCGR (0.69) LHCGRTSHRADORA2AMAPTRXFP1
SCHEMBL4428948 0.83 LHCGR (0.52) LHCGRTSHRLMNAADORA2AMAPT
SCHEMBL4419261 0.79 LHCGR (0.77) LHCGRTSHRKMT2AMAPTRXFP1
SCHEMBL4432379 0.78 LHCGR (0.43) LHCGRTSHRKMT2ABRAFPDE4A
SCHEMBL4423867 0.78 LHCGR (0.48) LHCGRTSHRLMNAMAPTDHODH

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
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
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
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
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 US disclosed
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 EP disclosed
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 WO 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 1000/4885LMNA 1352/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885LMNA 1181/4885

“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.