SCHEMBL5028843

SCHEMBL5028843

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

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 15/20 0.72
FSHR P23945 4/20 0.70
TSHR P16473 2/20 0.70
BRAF P15056 3/20 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
SCHEMBL14285229 0.92 LHCGR (0.73) LHCGRFSHRTSHRBRAF
SCHEMBL5024555 0.89 LHCGR (0.55) LHCGRFSHRTSHRBRAF
SCHEMBL4425902 0.88 LHCGR (0.78) LHCGRFSHRTSHRBRAF
SCHEMBL6222004 0.88 LHCGR (0.68) LHCGRFSHRTSHRBRAF
SCHEMBL6225680 0.88 LHCGR (0.67) LHCGRFSHRTSHR
SCHEMBL6221420 0.87 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL5028842 0.87 LHCGR (0.67) LHCGRFSHRTSHR
SCHEMBL5028832 0.87 LHCGR (0.67) LHCGRFSHRTSHR
SCHEMBL6222712 0.87 LHCGR (0.69) LHCGRFSHRTSHR
SCHEMBL30673524 0.87 LHCGR (0.67) LHCGRFSHRTSHR

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 6 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
US-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 US disclosed
EP-1427733-B1 THIENO[2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY ORGANON NV (NL) 2006-11-15 EP 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
US-20040180873-A1 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 (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-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885FSHR 1/4885TSHR 45/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885FSHR 1/4885TSHR 14/4885

“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.