SCHEMBL2825296

SCHEMBL2825296

Cc1ncn(-c2ccc(OC(F)(F)F)cc2C#N)c1CN(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A3 Q01959 2/20 0.33
TRPA1 O75762 1/20 0.33
ACACB O00763 1/20 0.32
LYN P07948 1/20 0.32
RPS6KB1 P23443 1/20 0.32
MARK3 P27448 1/20 0.32
FLT3 P36888 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
GSK3B P49841 1/20 0.32
PGGT1B P53609 1/20 0.32
STK3 Q13188 1/20 0.32
DYRK1A Q13627 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL2825248 0.87 HSD17B10 (0.38) GABRG2GABRB3GABRA5DYRK1A
SCHEMBL2825991 0.85 GABRG2 (0.41) GABRG2GABRB3GABRA5TRPA1ACACB
SCHEMBL2824424 0.82 GABRG2 (0.35) GABRG2GABRB3GABRA5IDO1
SCHEMBL2824987 0.82 P2RX3 (0.33) GABRG2GABRB3GABRA5
SCHEMBL2822935 0.80 NOS3 (0.36) GABRG2GABRB3GABRA5
SCHEMBL2828243 0.80 CRHR1 (0.39) GABRG2GABRB3GABRA5CRHR1
SCHEMBL2824034 0.80 GABRG2 (0.35) GABRG2GABRB3GABRA5
SCHEMBL2827342 0.79 GABRG2 (0.38) GABRG2GABRB3GABRA5
SCHEMBL2823800 0.77 KMT2A (0.40)
SCHEMBL2827843 0.74 FNTB (0.39) GABRG2GABRB3GABRA5TRPA1LYN

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
CN-101287738-B Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE 2011-08-10 CN disclosed
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
CN-101115756-B Tetracyclic imidazo-benzodiazepines as GABA receptor modulators HOFFMANN LA ROCHE 2010-06-16 CN 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
CN-101287738-A Imidazo benzodiazepine derivatives HOFFMANN LA ROCHE (CH) 2008-10-15 CN 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
CN-101115756-A Tetracyclic imidazo-benzodiazepines * as GABA receptor modulators HOFFMANN LA ROCHE (CH) 2008-01-30 CN 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
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

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-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.