SCHEMBL4420397

SCHEMBL4420397

CCOC(=O)c1sc2nc(-c3ccccc3)nc(-c3cccc([N+](=O)[O-])c3)c2c1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.56
ALDH1A1 P00352 8/20 0.56
KDM4E B2RXH2 5/20 0.56
RAB9A P51151 3/20 0.56
MAPK1 P28482 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
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 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
HSD17B10 Q99714 3/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48

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
SCHEMBL5026183 0.94 MAPT (0.54) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL5024695 0.89 MAPT (0.54) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL5026135 0.88 MAPT (0.52) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL4418734 0.87 KDM4E (0.62) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL5043447 0.87 MAPT (0.47) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL5043443 0.87 MAPT (0.47) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL4426414 0.87 LHCGR (0.57) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL6215323 0.87 ALDH1A1 (0.66) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL6214088 0.85 MAPT (0.60) MAPTALDH1A1KDM4ERAB9AMAPK1
SCHEMBL6215827 0.82 KDM4E (0.60) MAPTALDH1A1KDM4ERAB9AMAPK1

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 10 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
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

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 MAPT 4796/4885ALDH1A1 1372/4885KDM4E 1309/4885
US-20040180907-A1 Glycine-substituted thieno{2,3-d}pyrimidines with combined lh and fsh agonistic activity FSHR, GNRHR, LHCGR MAPT 4881/4885ALDH1A1 1676/4885KDM4E 1976/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MAPT 4807/4885ALDH1A1 1340/4885KDM4E 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.