SCHEMBL4426414

SCHEMBL4426414

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 6/20 0.57
MAPT P10636 10/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 1/20 0.55
TSHR P16473 1/20 0.52
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
MAPK1 P28482 2/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 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
SCHEMBL14285233 0.87 LHCGR (0.56) LHCGRMAPTMEN1KMT2ARAB9A
SCHEMBL4431522 0.87 LHCGR (0.62) LHCGRMAPTMEN1KMT2ARAB9A
SCHEMBL4906981 0.87 LHCGR (0.56) LHCGRTSHRPDE4APDE4BPDE4C
SCHEMBL4420397 0.87 MAPT (0.56) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL6928354 0.86 LHCGR (0.58) LHCGRMAPTMEN1KMT2ARAB9A
SCHEMBL4327613 0.85 LHCGR (0.77) LHCGRMAPTRAB9ATSHRALDH1A1
SCHEMBL2131332 0.85 LHCGR (0.61) LHCGRMAPTMEN1KMT2ARAB9A
SCHEMBL6216802 0.85 LHCGR (0.61) LHCGRMAPTMEN1KMT2ARAB9A
SCHEMBL6216192 0.85 ALDH1A1 (0.62) LHCGRMAPTMEN1KMT2ARAB9A
SCHEMBL5026183 0.84 MAPT (0.54) MAPTMEN1KMT2ARAB9AALDH1A1

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 19 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-7317006-B2 Thieno[2,3-d]pyrimidines with combined LH and FSH agonistic activity N.V. ORGANON (NL) 2008-01-08 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
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
CN-1247594-C Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2006-03-29 CN 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
EP-1171443-B1 BICYCLIC HETEROAROMATIC COMPOUNDS USEFUL AS LH AGONISTS AKZO NOBEL NV (NL) 2005-07-13 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
CN-1462273-A Bicyclic heteroaromatic compounds OKZO NOBEL N V (NL) 2003-12-17 CN 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 1/4885MAPT 4619/4885MEN1 4095/4885
US-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 13/4885MAPT 4796/4885MEN1 3631/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885MAPT 4881/4885MEN1 4277/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885MAPT 4851/4885MEN1 3458/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR LHCGR 10/4885MAPT 4807/4885MEN1 2935/4885

“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.