SCHEMBL2824987

SCHEMBL2824987

Cc1ccc(-n2cnc(C)c2CN(C)C)c(C#N)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 19/20 0.33
P2RX2 Q9UBL9 19/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL2822935 0.88 NOS3 (0.36) P2RX3P2RX2GABRG2GABRB3GABRA5
SCHEMBL2824424 0.88 GABRG2 (0.35) P2RX3P2RX2GABRG2GABRB3GABRA5
SCHEMBL2824034 0.88 GABRG2 (0.35) GABRG2GABRB3GABRA5
SCHEMBL2828243 0.88 CRHR1 (0.39) P2RX3P2RX2GABRG2GABRB3GABRA5
SCHEMBL2825248 0.85 HSD17B10 (0.38) GABRG2GABRB3GABRA5
SCHEMBL2827342 0.84 GABRG2 (0.38) P2RX3P2RX2GABRG2GABRB3GABRA5
SCHEMBL2824412 0.84 GABRG2 (0.38) P2RX3P2RX2GABRG2GABRB3GABRA5
SCHEMBL2823800 0.84 KMT2A (0.40)
SCHEMBL2823311 0.82 P2RX3 (0.33) P2RX3P2RX2GABRG2GABRB3GABRA5
SCHEMBL2825296 0.82 GABRG2 (0.41) GABRG2GABRB3GABRA5

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 12 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
EP-1828194-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F. Hoffmann-Roche AG (CH) 2007-09-05 EP 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
WO-2006063708-A1 TETRACYCLIC IMIDAZO-BENZODIAZEPINES AS GABA RECEPTORS MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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 P2RX3 312/4885P2RX2 727/4885GABRG2 26/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 P2RX3 508/4885P2RX2 533/4885GABRG2 18/4885

“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.