SCHEMBL4422658

SCHEMBL4422658

CSc1nc(-c2cccc(NC(=O)Oc3ccccc3)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 6/20 0.58
TSHR P16473 1/20 0.58
BRAF P15056 11/20 0.54
PDE4A P27815 3/20 0.50
PDE4B Q07343 3/20 0.50
PDE4C Q08493 3/20 0.50
PDE4D Q08499 3/20 0.50
FSHR P23945 1/20 0.49
LIMK1 P53667 1/20 0.45
IKBKB O14920 1/20 0.45

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
SCHEMBL4421622 0.90 LHCGR (0.60) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4420434 0.90 LHCGR (0.51) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4432358 0.87 LHCGR (0.55) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4422865 0.87 LHCGR (0.54) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6217358 0.87 LHCGR (0.57) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4426360 0.87 LHCGR (0.63) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4423451 0.84 LHCGR (0.51) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4430436 0.83 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL5024555 0.83 LHCGR (0.55) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4433012 0.83 LHCGR (0.67) LHCGRTSHRBRAFPDE4APDE4B

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 5 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

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 1000/4885BRAF 4474/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885BRAF 4242/4885

“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.