SCHEMBL2827650

SCHEMBL2827650

Cc1ncn(-c2cccc(F)c2C#N)c1CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
ACHE P22303 1/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
HCAR1 Q9BXC0 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 3/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 2/20 0.31
HIF1A Q16665 1/20 0.31
LRRK2 Q5S007 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL2828584 0.85 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10GABRG2
SCHEMBL4593235 0.83 PRKACA (0.31)
SCHEMBL2828066 0.83 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDHSD17B10DRD2
SCHEMBL4592367 0.81 GABRG2 (0.35) GABRG2GABRB3GABRA5
SCHEMBL2823800 0.80 KMT2A (0.40) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL2824987 0.72 P2RX3 (0.33) GABRG2GABRB3GABRA5
SCHEMBL2822935 0.71 NOS3 (0.36) GABRG2GABRB3GABRA5HCAR1MAPT
SCHEMBL2828243 0.71 CRHR1 (0.39) GABRG2GABRB3GABRA5
SCHEMBL2824034 0.71 GABRG2 (0.35) GABRG2GABRB3GABRA5
SCHEMBL2827342 0.71 GABRG2 (0.38) 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 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 ALDH1A1 619/4885KDM4E 1498/4885HPGD 2322/4885
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 ALDH1A1 313/4885KDM4E 1207/4885HPGD 2314/4885

“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.