SCHEMBL4431522

SCHEMBL4431522

CCOC(=O)c1sc2nc(SC)nc(-c3cccc(N)c3)c2c1N

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 7/20 0.62
TSHR P16473 2/20 0.57
KDM4E B2RXH2 6/20 0.56
MAPT P10636 6/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 3/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
GLA P06280 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
ATM Q13315 1/20 0.52
FSHR P23945 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
BRAF P15056 1/20 0.47
PDE4A P27815 1/20 0.47

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
SCHEMBL4327613 0.90 LHCGR (0.77) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL2131332 0.90 LHCGR (0.61) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6216802 0.90 LHCGR (0.61) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6216192 0.90 ALDH1A1 (0.62) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6220445 0.88 LHCGR (0.65) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL4426414 0.87 LHCGR (0.57) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6217536 0.86 LHCGR (0.63) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL6217498 0.86 LHCGR (0.62) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL5025967 0.86 LHCGR (0.62) LHCGRTSHRKDM4EMAPTALDH1A1
SCHEMBL4421145 0.86 BRAF (0.62) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7618963-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2009-11-17 US disclosed
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-1886999-A2 Bicyclic heteroaromatic compound N.V. Organon (NL) 2008-02-13 EP disclosed
EP-1322651-B1 BICYCLIC HETEROAROMATIC COMPOUNDS ORGANON NV (NL) 2008-01-23 EP 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
US-20070197527-A1 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-08-23 US disclosed
US-7229990-B2 Bicyclic heteroaromatic compounds N.V. ORGANON (NL) 2007-06-12 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-6841553-B2 Bicyclic heteroaromatic compounds useful as LH agonists AKZO NOBEL N.V. (NL) 2005-01-11 US 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
US-20030225113-A1 Bicyclic heteroaromatic compounds MERCK SHARP & DOHME B.V. (NL) 2003-12-04 US disclosed
US-20030212081-A1 Bicyclic heteroaromatic compounds useful as LH agonists MERCK SHARP & DOHME B.V. (NL) 2003-11-13 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 (5 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 176/4885KDM4E 2123/4885
US-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 13/4885TSHR 1000/4885KDM4E 1309/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885TSHR 45/4885KDM4E 1976/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885TSHR 14/4885KDM4E 2994/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885TSHR 517/4885KDM4E 1074/4885

“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.