SCHEMBL2828152

SCHEMBL2828152

COCc1nc2n(n1)CC(=O)Nc1ccc(Br)cc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.55
GABRA5 P31644 9/20 0.55
GABRA3 P34903 9/20 0.55
GABRA2 P47869 9/20 0.55
GABRG2 P18507 7/20 0.55
GABRB3 P28472 7/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GABRB2 P47870 2/20 0.35
TGM2 P21980 1/20 0.35
CES1 P23141 1/20 0.35
ADRA1A P35348 1/20 0.35
BRD4 O60885 1/20 0.34
CCNB2 O95067 3/20 0.34
CDK1 P06493 3/20 0.34
CCNB1 P14635 3/20 0.34
GSK3B P49841 3/20 0.34
CCNB3 Q8WWL7 3/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34

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
SCHEMBL2823564 0.87 GABRG2 (0.41) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL3569558 0.82 KMT2A (0.56) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2824502 0.72 GABRG2 (0.70) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL3569245 0.71 KMT2A (0.53) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2827054 0.70 GABRG2 (0.77) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2825320 0.70 GABRG2 (0.81) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL8802795 0.69 KMT2A (0.54) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2824434 0.69 GABRG2 (0.76) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2825126 0.69 GABRA1 (0.52) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL2828509 0.69 GABRG2 (0.80) GABRA1GABRA5GABRA3GABRA2GABRG2

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 GABRA1 2/4885GABRA5 1/4885GABRA3 5/4885

“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.