SCHEMBL5030974

SCHEMBL5030974

COC(=O)CNCC(=O)Nc1cccc(-c2nc(SC)nc3sc(C(N)=O)c(N)c23)c1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.53
TSHR P16473 2/20 0.53
FSHR P23945 2/20 0.53
BRAF P15056 10/20 0.51
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46

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
SCHEMBL6221420 0.90 LHCGR (0.69) LHCGRTSHRFSHR
SCHEMBL6218317 0.87 LHCGR (0.60) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5024555 0.86 LHCGR (0.55) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5028890 0.86 BRAF (0.58) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL4421622 0.86 LHCGR (0.60) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5024665 0.85 BRAF (0.49) LHCGRFSHRBRAFPDE4APDE4B
SCHEMBL6222413 0.85 LHCGR (0.50) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5026955 0.85 BRAF (0.57) LHCGRTSHRFSHRBRAFPDE4A
SCHEMBL5028885 0.84 BRAF (0.48) BRAFPDE4APDE4BPDE4CPDE4D
SCHEMBL5026102 0.84 LHCGR (0.53) LHCGRTSHRFSHRBRAFPDE4A

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-7375109-B2 Glycine-substituted thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-05-20 US disclosed
EP-1427734-B1 GLYCINE-SUBSTITUTED THIENO[2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL NV (NL) 2005-11-09 EP disclosed
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity MERCK SHARP & DOHME B.V. (NL) 2004-09-16 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-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885TSHR 45/4885FSHR 1/4885

“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.