SCHEMBL5030719

SCHEMBL5030719

CSc1nc(-c2cccc(NC(=O)CN3CCOCC3)c2)c2c(N)c(C(N)=O)sc2n1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 7/20 0.51
LHCGR P22888 6/20 0.49
FSHR P23945 1/20 0.49
TSHR P16473 1/20 0.47
MAP4K4 O95819 1/20 0.47
JAK3 P52333 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL5030680 0.93 LHCGR (0.53) BRAFLHCGRFSHRTSHRMAP4K4
SCHEMBL5026102 0.93 LHCGR (0.53) BRAFLHCGRFSHRTSHR
SCHEMBL5024538 0.92 LHCGR (0.52) BRAFLHCGRFSHRTSHRMAP4K4
SCHEMBL5028902 0.91 BRAF (0.52) BRAFLHCGRFSHRTSHR
SCHEMBL5765184 0.91 BRAF (0.51) BRAFLHCGRFSHRTSHRJAK3
SCHEMBL30673523 0.90 LHCGR (0.64) LHCGRFSHRTSHRMAP4K4JAK3
SCHEMBL5026884 0.90 LHCGR (0.64) LHCGRFSHRTSHRMAP4K4JAK3
SCHEMBL6536790 0.89 LHCGR (0.46) BRAFLHCGRFSHRTSHRMAP4K4
SCHEMBL4428981 0.88 BRAF (0.53) BRAFLHCGRFSHRTSHR
SCHEMBL5024555 0.84 LHCGR (0.55) BRAFLHCGRFSHRTSHR

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
WO-2023239854-A2 METHOD OF TREATING OBESITY WITH A LUTEINIZING HORMONE RECEPTOR AGONIST ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-12-14 WO claimed
EP-1427733-B1 THIENO[2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY ORGANON NV (NL) 2006-11-15 EP claimed
WO-2023239854-A2 METHOD OF TREATING OBESITY WITH A LUTEINIZING HORMONE RECEPTOR AGONIST ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2023-12-14 WO 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
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 (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-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR BRAF 4516/4885LHCGR 3/4885FSHR 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.