SCHEMBL2659996

SCHEMBL2659996

O=[N+]([O-])c1ccc(F)c(-n2ccnc2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIK2 Q13002 1/20 0.46
GRIK3 Q13003 1/20 0.46
GRIK4 Q16099 1/20 0.46
GRIK5 Q16478 1/20 0.46
CYP19A1 P11511 6/20 0.44
IDO1 P14902 2/20 0.43
PDE5A O76074 2/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL1353486 0.88 ALDH1A1 (0.49) ALDH1A1HIF1AGRIK1GRIA1GRIA2
SCHEMBL30912420 0.88 ALDH1A1 (0.49) ALDH1A1HIF1AGRIK1GRIA1GRIA2
SCHEMBL19036206 0.86 GRIK1 (0.49) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL11703644 0.82 IDO1 (0.57) ALDH1A1GRIK1GRIA1GRIA2GRIA3
SCHEMBL2358253 0.81 ALDH1A1 (0.51) ALDH1A1HIF1AKMT2A
SCHEMBL8822091 0.81 ALDH1A1 (0.43) ALDH1A1HIF1AGRIK1GRIA1GRIA2
SCHEMBL10786918 0.81 GRIK1 (0.57) ALDH1A1GRIK1GRIA1GRIA2GRIA3
SCHEMBL1744862 0.80 ALDH1A1 (0.53) ALDH1A1HIF1AGRIK1GRIA1GRIA2
SCHEMBL6835399 0.79 ALDH1A1 (0.49) ALDH1A1GRIK1GRIA1GRIA2GRIA3
SCHEMBL31463543 0.79 GRIK1 (0.46) GRIK1GRIA1GRIA2GRIA3GRIA4

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-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US disclosed
EP-1343788-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2003-09-17 EP disclosed
WO-2002038568-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2002-05-16 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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 ALDH1A1 646/4885HIF1A 583/4885GRIK1 58/4885

“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.