SCHEMBL4423876

SCHEMBL4423876

COc1cccc(-c2nc(SC)nc3cc(C(C)(C)C)c(C(N)=O)c(N)c23)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.56
TSHR P16473 1/20 0.55
RIPK2 O43353 2/20 0.48
BRAF P15056 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
IKBKB O14920 2/20 0.40
SRC P12931 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ADORA2A P29274 2/20 0.38
FYN P06241 1/20 0.37
EPHB4 P54760 1/20 0.37
PARP1 P09874 1/20 0.36
CHEK2 O96017 1/20 0.36
ADORA1 P30542 1/20 0.35

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
SCHEMBL4422170 0.88 LHCGR (0.42) LHCGRTSHRRIPK2BRAFPDE4A
SCHEMBL4430425 0.87 LHCGR (0.52) LHCGRTSHRRIPK2BRAFPDE4A
SCHEMBL4418728 0.81 LHCGR (0.57) LHCGRTSHRRIPK2BRAFPDE4A
SCHEMBL4425814 0.81 LHCGR (0.40) LHCGRTSHRBRAF
SCHEMBL4423898 0.77 LHCGR (0.55) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4423875 0.77 LHCGR (0.69) LHCGRTSHRRIPK2BRAFPDE4A
SCHEMBL4430436 0.75 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4428948 0.75 LHCGR (0.52) LHCGRTSHRRIPK2BRAFPDE4A
SCHEMBL4432167 0.74 LHCGR (0.54) LHCGRTSHRMAPT
SCHEMBL4313363 0.72 LHCGR (1.00) LHCGRTSHRRIPK2BRAFPDE4A

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 7 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
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 1000/4885RIPK2 4866/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885RIPK2 4878/4885

“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.