SCHEMBL3579571

SCHEMBL3579571

O=C(O)c1ncn2c1Cn1ncnc1-c1cc(Br)ccc1-2

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.74
GABRB3 P28472 20/20 0.74
GABRA5 P31644 20/20 0.74
GABRA1 P14867 4/20 0.70
GABRA3 P34903 4/20 0.70
GABRA2 P47869 4/20 0.70

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
SCHEMBL3570258 0.92 GABRG2 (0.73) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3566351 0.90 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3573063 0.89 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3884039 0.88 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3571859 0.87 GABRG2 (0.79) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3572102 0.87 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3570896 0.87 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3871120 0.87 GABRG2 (0.77) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3576913 0.87 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3568587 0.86 GABRG2 (0.77) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP claimed
JP-2008515941-A 2008-05-15 JP claimed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 EP claimed
WO-2006040038-A1 IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO claimed
US-8293730-B2 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES KNUST HENNER 2010-03-25 US disclosed
US-7671048-B2 Substituted imidazo [1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-02 US disclosed
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
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
EP-1809297-A1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F. Hoffmann-Roche AG (CH) 2007-07-25 EP disclosed
EP-1807432-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 EP 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
WO-2006040038-A1 IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-20 WO disclosed
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-04-13 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 (3 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-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 GABRG2 73/4885GABRB3 10/4885GABRA5 16/4885
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
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A GABRG2 43/4885GABRB3 19/4885GABRA5 2/4885

“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.