SCHEMBL2822645

SCHEMBL2822645

Cc1ncn2c1Cn1nc(Cn3ccnc3)nc1-c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 19/20 0.59
GABRB3 P28472 19/20 0.59
GABRA5 P31644 19/20 0.59
GABRA1 P14867 8/20 0.49
GABRA3 P34903 8/20 0.49
GABRA2 P47869 8/20 0.49
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
Hydrochloric Acid SCHEMBL2824184 0.99 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2824563 0.86 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828366 0.85 GABRG2 (0.67) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2828755 0.83 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2826907 0.81 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2824193 0.81 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2827999 0.81 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2827491 0.81 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2825662 0.79 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
Hydrochloric Acid SCHEMBL2825917 0.79 GABRG2 (0.60) 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 10 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 claimed
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 claimed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP claimed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO claimed
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 claimed
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.