SCHEMBL1375422

SCHEMBL1375422

Clc1ccc2c(c1)-c1ncnn1Cc1c(I)ncn1-2

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.78
GABRB3 P28472 20/20 0.78
GABRA5 P31644 20/20 0.78
GABRA1 P14867 4/20 0.78
GABRA3 P34903 4/20 0.78
GABRA2 P47869 4/20 0.78

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
SCHEMBL1379560 0.88 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2430701 0.86 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4593123 0.85 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9264113 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2431177 0.82 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3563009 0.82 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2431184 0.82 GABRG2 (0.84) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2432257 0.82 GABRG2 (0.80) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2403218 0.82 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4592385 0.82 GABRG2 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4751398-B2 2011-08-17 JP claimed
US-7507728-B2 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US claimed
EP-1807432-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 EP claimed
WO-2006045429-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO claimed
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 US claimed
US-7507728-B2 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
US-7432256-B2 Substitued imidazo [1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMAN-LA ROCHE INC. (US) 2008-10-07 US disclosed
EP-1828194-B1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS HOFFMANN LA ROCHE (CH) 2008-05-28 EP disclosed
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
EP-1807432-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 EP disclosed
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO disclosed
US-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-06-15 US disclosed
WO-2006045429-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 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 (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-20060128691-A1 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA3, GABRA5, GABRA1 GABRG2 26/4885GABRB3 5/4885GABRA5 2/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 GABRG2 24/4885GABRB3 10/4885GABRA5 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.