SCHEMBL6202572

SCHEMBL6202572

O=[N+]([O-])c1cccc(-c2cccc(-c3cnc4nc(C(F)(F)F)cnn34)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
ALPI P09923 1/20 0.48
GABRA1 P14867 7/20 0.45
GABRG2 P18507 7/20 0.45
GABRB3 P28472 7/20 0.45
GABRA2 P47869 4/20 0.45
PTGS2 P35354 1/20 0.43
GABRA5 P31644 5/20 0.42
GABRA3 P34903 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMO O15229 1/20 0.39
AMY1A P0DUB6 1/20 0.39

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
SCHEMBL6200896 0.81 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6202421 0.80 GABRG2 (0.60) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL5264102 0.79 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6199891 0.79 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL18495676 0.78 RAB9A (0.56) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL2659517 0.78 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6198921 0.78 FYN (0.51) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6202841 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2PTGS2
SCHEMBL5262983 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6201966 0.78 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2GABRA5

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 6 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 claimed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US claimed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US claimed
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

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 ALPL 3446/4885ALPI 3157/4885GABRA1 3/4885

“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.