SCHEMBL6218317

SCHEMBL6218317

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 9/20 0.60
▸ FSHR P23945 2/20 0.60
▸ TSHR P16473 2/20 0.57
▸ BRAF P15056 9/20 0.52
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44

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
SCHEMBL5026955 0.93 BRAF (0.57) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL5024555 0.88 LHCGR (0.55) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL5030974 0.87 LHCGR (0.53) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL6222004 0.86 LHCGR (0.68) LHCGRFSHRTSHRBRAF
SCHEMBL4421622 0.84 LHCGR (0.60) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL4425074 0.83 LHCGR (0.45) LHCGRFSHRTSHRBRAF
SCHEMBL5026102 0.83 LHCGR (0.53) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL5030680 0.83 LHCGR (0.53) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL6222413 0.83 LHCGR (0.50) LHCGRFSHRTSHRBRAFPDE4A
SCHEMBL14285229 0.83 LHCGR (0.73) LHCGRFSHRTSHRBRAF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 — — EP disclosed
US-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 — — US disclosed
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 — — US disclosed
US-6569863-B1 Luteinizing hormone (LH) agonists for controlling fertility AKZO NOBEL NV (NL) 2003-05-27 — — 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 (1 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-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists LHCGR, GNRHR, FSHR LHCGR 1/4885FSHR 3/4885TSHR 176/4885

“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.

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