SCHEMBL5026076

SCHEMBL5026076

N#Cc1c(Cl)nc(-c2cccs2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 7/20 0.50
MEN1 O00255 6/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HCRTR1 O43613 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.44
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA2B P29275 2/20 0.43
MYC P01106 1/20 0.43
WDR5 P61964 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
SCHEMBL5026125 0.88 MAPT (0.52) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4423874 0.85 KMT2A (0.58) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5024682 0.84 KMT2A (0.65) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5024711 0.79 NPC1 (0.53) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4422399 0.76 CYP1A2 (0.56) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL4904156 0.74 PDE4D (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL4898316 0.73 CTSL (0.50) ABCG2ADORA2AADORA1MYCWDR5
SCHEMBL403505 0.72 MAPT (0.64) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL27566627 0.72 MAPT (0.59) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL10377354 0.71 NPC1 (0.49) MAPTNPC1RAB9AKMT2AMEN1

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 5 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
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
EP-1427734-A1 GLYCINE-SUBSTITUTED THIENO 2,3-d]PYRIMIDINES WITH COMBINED LH AND FSH AGONISTIC ACTIVITY Akzo Nobel N.V. (NL) 2004-06-16 EP disclosed
WO-2003020727-A1 GLYCINE-SUBSTITUTED 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 (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-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR MAPT 4881/4885NPC1 3425/4885RAB9A 4450/4885

“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.