SCHEMBL4423874

SCHEMBL4423874

N#Cc1c(Cl)nc(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.47
ABCG2 Q9UNQ0 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ACMSD Q8TDX5 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MYC P01106 1/20 0.45
WDR5 P61964 1/20 0.45
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44

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
SCHEMBL5024682 0.92 KMT2A (0.65) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL4421556 0.86 NPC1 (0.49) ALDH1A1NPC1RAB9APOLBABCG2
SCHEMBL10377354 0.86 NPC1 (0.49) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL5024711 0.85 NPC1 (0.53) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL5026076 0.85 MAPT (0.52) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL4422399 0.81 CYP1A2 (0.56) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL19305511 0.80 KMT2A (0.85) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL4904156 0.79 PDE4D (0.47) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL5026966 0.78 NPC1 (0.52) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL4898316 0.78 CTSL (0.50) ABCG2ADORA2AADORA1MYCWDR5

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
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
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
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
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
EP-1322651-A1 BICYCLIC HETEROAROMATIC COMPOUNDS Akzo Nobel N.V. (NL) 2003-07-02 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
WO-2002024703-A1 BICYCLIC HETEROAROMATIC COMPOUNDS AKZO NOBEL N.V. (NL) 2002-03-28 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 (3 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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR KMT2A 1849/4885MEN1 3631/4885ALDH1A1 1372/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR KMT2A 980/4885MEN1 4277/4885ALDH1A1 1676/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR KMT2A 1414/4885MEN1 2935/4885ALDH1A1 1340/4885

“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.