SCHEMBL5025967

SCHEMBL5025967

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

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LHCGR P22888 8/20 0.62
TSHR P16473 2/20 0.60
BRAF P15056 3/20 0.52
PDE4A P27815 3/20 0.52
PDE4B Q07343 3/20 0.52
PDE4C Q08493 3/20 0.52
PDE4D Q08499 3/20 0.52
FSHR P23945 1/20 0.50
MAPT P10636 5/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
IKBKB O14920 1/20 0.42

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
SCHEMBL4421145 0.91 BRAF (0.62) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6216455 0.90 LHCGR (0.59) LHCGRTSHRFSHRMAPTALDH1A1
SCHEMBL2133864 0.89 LHCGR (0.60) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4419261 0.88 LHCGR (0.77) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL6927090 0.86 LHCGR (0.64) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4431522 0.86 LHCGR (0.62) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL14285233 0.86 LHCGR (0.56) LHCGRTSHRFSHRMAPTALDH1A1
SCHEMBL4421168 0.86 LHCGR (0.84) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4899220 0.83 BRAF (0.61) LHCGRTSHRBRAFPDE4APDE4B
SCHEMBL4427626 0.83 BRAF (0.54) LHCGRBRAFPDE4APDE4BPDE4C

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 8 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
EP-1427733-A1 THIENO 2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY Akzo Nobel N.V. (NL) 2004-06-16 EP disclosed
WO-2003020726-A1 THIENO[2,3-D]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY AKZO NOBEL N.V. (NL) 2003-03-13 WO 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 3/4885TSHR 45/4885BRAF 4677/4885
US-20040180873-A1 Thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR LHCGR 3/4885TSHR 14/4885BRAF 4516/4885

“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.