SCHEMBL2828336

SCHEMBL2828336

Cc1ncn2c1Cn1nc(C(C)O)nc1-c1cc(Br)ccc1-2

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.72
GABRB3 P28472 20/20 0.72
GABRA5 P31644 20/20 0.72
GABRA1 P14867 10/20 0.72
GABRA3 P34903 10/20 0.72
GABRA2 P47869 10/20 0.72

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
SCHEMBL2828020 1.00 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828761 0.99 GABRG2 (0.71) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2824270 0.90 GABRG2 (0.61) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2825912 0.87 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828062 0.87 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2826643 0.86 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828142 0.86 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2824438 0.86 GABRG2 (0.60) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2827070 0.86 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2830362 0.85 GABRG2 (0.66) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 GABRG2 18/4885GABRB3 10/4885GABRA5 1/4885

“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.