SCHEMBL4421173

SCHEMBL4421173

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

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.75
BRAF P15056 11/20 0.63
PDE4A P27815 7/20 0.63
PDE4B Q07343 7/20 0.63
PDE4C Q08493 7/20 0.63
PDE4D Q08499 7/20 0.63
TSHR P16473 1/20 0.59
FSHR P23945 1/20 0.49
IKBKB O14920 1/20 0.49

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
SCHEMBL4421145 0.90 BRAF (0.62) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL2132337 0.88 LHCGR (0.60) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL6217652 0.88 LIMK1 (0.58) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4430436 0.87 LHCGR (0.77) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4315364 0.86 LHCGR (1.00) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4902878 0.85 LHCGR (0.58) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4909677 0.85 BRAF (0.69) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4906981 0.85 LHCGR (0.56) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4426360 0.83 LHCGR (0.63) LHCGRBRAFPDE4APDE4BPDE4C
SCHEMBL4421622 0.83 LHCGR (0.60) LHCGRBRAFPDE4APDE4BPDE4C

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
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
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

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 13/4885BRAF 4474/4885PDE4A 1417/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885BRAF 4242/4885PDE4A 1703/4885

“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.