SCHEMBL6427025

SCHEMBL6427025

COc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)C)c(N)c23)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LHCGR P22888 8/20 0.78
▸ TSHR P16473 2/20 0.78
▸ BRAF P15056 2/20 0.54
▸ PDE4A P27815 1/20 0.54
▸ PDE4B Q07343 1/20 0.54
▸ PDE4C Q08493 1/20 0.54
▸ PDE4D Q08499 1/20 0.54
▸ FSHR P23945 1/20 0.51
▸ MAPT P10636 4/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ CHRM4 P08173 3/20 0.49
▸ KDM4E B2RXH2 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ POLB P06746 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
SCHEMBL17467741 0.91 LHCGR (0.82) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4322522 0.90 LHCGR (0.81) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6217403 0.88 LHCGR (0.60) LHCGRTSHRFSHRMAPTMEN1
SCHEMBL4331233 0.88 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL32156160 0.88 LHCGR (1.00) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4326072 0.88 LHCGR (1.00) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4335341 0.88 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4430436 0.87 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4419261 0.87 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4327416 0.86 LHCGR (0.83) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885TSHR 176/4885BRAF 4753/4885

“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.

Send feedback