SCHEMBL3913587

SCHEMBL3913587

FCc1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.71
GABRB3 P28472 20/20 0.71
GABRA5 P31644 20/20 0.71
GABRA1 P14867 6/20 0.71
GABRA3 P34903 6/20 0.71
GABRA2 P47869 6/20 0.71

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
SCHEMBL3570649 0.89 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2685494 0.87 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4592021 0.87 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2431177 0.86 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12067507 0.86 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3914172 0.84 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4592374 0.83 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2826771 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2426998 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3914564 0.80 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA1GABRA3

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
EP-1805184-B1 IMIDAZO-BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-01-09 EP claimed
US-7514426-B2 Substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-04-07 US claimed
US-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. 2006-04-20 US claimed
EP-1805184-B1 IMIDAZO-BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-01-09 EP disclosed
WO-2011153377-A2 METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 WO disclosed
US-7514426-B2 Substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2009-04-07 US disclosed
EP-1805184-A1 IMIDAZO-BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-07-11 EP disclosed
WO-2006045430-A1 IMIDAZO-BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. 2006-04-20 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-20060084642-A1 gamma-aminobutyric acid GABA receptors inverse agonists ; Alzheimer's disease, cognition enhancers; 10-methyl-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine GABRA3, GABRA1, GABRA4 GABRG2 14/4885GABRB3 4/4885GABRA5 6/4885

“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.