SCHEMBL5249728

SCHEMBL5249728

c1ccc(-c2nc3nc4ccccc4nc3[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
GLA P06280 2/20 0.44
PI4KA P42356 1/20 0.44
PI4K2B Q8TCG2 1/20 0.44
PI4K2A Q9BTU6 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
GSK3B P49841 1/20 0.43
FGFR1 P11362 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
SCHEMBL11829946 0.88 GAA (0.50) GAANPC1RAB9ATNKSPARP1
SCHEMBL5252061 0.86 TNKS (0.53) GAANPC1RAB9ATNKSPARP1
SCHEMBL5249576 0.84 KDM4E (0.61) GAANPC1RAB9ATNKSPARP1
SCHEMBL11839052 0.84 ADORA3 (0.47) GAANPC1RAB9ATNKSPARP1
SCHEMBL5943243 0.82 KDR (0.44) GAANPC1RAB9AKDM4EALDH1A1
SCHEMBL5252814 0.82 KDM4E (0.61) GAANPC1RAB9ATNKSPARP1
SCHEMBL5251782 0.80 MMP2 (0.63) NPC1RAB9ATNKSPARP1TNKS2
SCHEMBL5250247 0.77 HPGD (0.56) GAANPC1RAB9ATNKSTNKS2
SCHEMBL5250588 0.76 GUSB (0.62) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL5246817 0.75 KDM4E (0.53) GAANPC1RAB9AADORA2AKDM4E

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
EP-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 EP disclosed
EP-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 EP disclosed
US-20060222607-A1 Tricyclic quinoxaline and quinoline derivatives as UV filters PFLUCKER FRANK 2006-10-05 US disclosed
US-7101537-B2 Tricyclic quinoxaline and quinoline derivatives as a UV filter MERCK PATENTGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter MERCK PATENT GMBH (DE) 2004-05-27 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 (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-20040102446-A1 Tricyclic quinoxaline derivatives as a uv filter CUTA, CYP1B1, TPH1 GAA 2632/4885NPC1 3313/4885RAB9A 1776/4885
US-20060222607-A1 Tricyclic quinoxaline and quinoline derivatives as UV filters RECQL, CUTA, NQO2 GAA 2272/4885NPC1 4215/4885RAB9A 2394/4885

“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.