SCHEMBL4419984

SCHEMBL4419984

CSc1nc(N)c(C#N)c(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.51
WDR5 P61964 1/20 0.51
ADORA1 P30542 3/20 0.47
MAPT P10636 3/20 0.44
PDE4D Q08499 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 3/20 0.42
RXFP1 Q9HBX9 2/20 0.42
IKBKB O14920 1/20 0.42
ALOX5 P09917 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
DDX3X O00571 1/20 0.41
HSD17B10 Q99714 1/20 0.40
MGAM O43451 1/20 0.40

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
SCHEMBL4422399 0.86 CYP1A2 (0.56) MYCWDR5ADORA1MAPTPDE4D
SCHEMBL4427518 0.86 MYC (0.46) MYCWDR5MAPTPDE4DMEN1
SCHEMBL4426366 0.84 MYC (0.43) MYCWDR5MAPTPDE4DMEN1
SCHEMBL4909305 0.81 ALDH1A1 (0.48) MYCWDR5ADORA1MAPTMEN1
SCHEMBL7021345 0.80 MAPT (0.56) MYCWDR5ADORA1MAPTMEN1
SCHEMBL27562261 0.79 RXFP1 (0.41) MYCWDR5MAPTPDE4DMEN1
SCHEMBL4422856 0.79 RXFP1 (0.41) MYCWDR5MAPTPDE4DMEN1
SCHEMBL4419260 0.79 BACE1 (0.41) MYCWDR5MAPTPDE4DMEN1
SCHEMBL4419266 0.79 BACE1 (0.41) MYCWDR5MAPTPDE4DMEN1
SCHEMBL18893661 0.78 RXFP1 (0.67) ADORA1MAPTMEN1KMT2ALMNA

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 9 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
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
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-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 (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-20030225113-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MYC 1326/4885WDR5 4310/4885ADORA1 570/4885
US-20070197527-A1 Bicyclic heteroaromatic compounds NR5A1, CYP19A1, FSHR MYC 1199/4885WDR5 4428/4885ADORA1 660/4885

“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.