SCHEMBL2824446

SCHEMBL2824446

CCOC(=O)c1ncn2c1Cn1nc(COC)nc1-c1cc(Cl)ccc1-2

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 16/20 0.69
GABRB3 P28472 16/20 0.69
GABRA5 P31644 16/20 0.69
GABRA1 P14867 2/20 0.63
GABRA3 P34903 2/20 0.63
GABRA2 P47869 2/20 0.63
GABRB2 P47870 1/20 0.63
GABRA4 P48169 1/20 0.63
GABRA6 Q16445 1/20 0.63

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
SCHEMBL2824528 0.90 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2824429 0.90 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3566735 0.88 GABRG2 (0.75) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2825410 0.84 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2825106 0.84 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3571594 0.83 GABRG2 (0.68) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3574483 0.83 GABRG2 (0.65) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3571855 0.82 GABRG2 (0.66) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3919167 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL18329263 0.81 GABRG2 (0.67) 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.