SCHEMBL4425812

SCHEMBL4425812

CSc1nc(-c2cccc(NC(=O)CBr)c2)c2c(N)c(C(=O)NC(C)(C)C)ccc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 9/20 0.49
FSHR P23945 2/20 0.49
TSHR P16473 2/20 0.47
JAK3 P52333 1/20 0.39
MAP4K4 O95819 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
ANO1 Q5XXA6 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3A P31941 1/20 0.34
HTT P42858 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34

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
SCHEMBL5034074 0.92 LHCGR (0.51) LHCGRFSHRTSHRMAP4K4GAA
SCHEMBL4422529 0.90 JAK3 (0.42) LHCGRFSHRTSHRJAK3MAP4K4
SCHEMBL4422167 0.85 LHCGR (0.55) LHCGRFSHRTSHRLMNAALDH1A1
SCHEMBL4430421 0.84 LHCGR (0.66) LHCGRFSHRTSHRLMNAALDH1A1
SCHEMBL4425074 0.83 LHCGR (0.45) LHCGRFSHRTSHRMAP4K4
SCHEMBL5028843 0.82 LHCGR (0.72) LHCGRFSHRTSHR
SCHEMBL4423875 0.81 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL4425814 0.80 LHCGR (0.40) LHCGRFSHRTSHRJAK3MAP4K4
SCHEMBL4423532 0.76 MAP4K4 (0.51) JAK3MAP4K4LMNAALDH1A1HTT
SCHEMBL27502615 0.75 LHCGR (0.50) LHCGRFSHRTSHRMAP4K4

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 13/4885FSHR 3/4885TSHR 1000/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885FSHR 3/4885TSHR 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.