SCHEMBL3564388

SCHEMBL3564388

O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccccc3)nn12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.72
GABRD O14764 1/20 0.72
GABRA1 P14867 1/20 0.72
GABRB1 P18505 1/20 0.72
GABRG2 P18507 1/20 0.72
GABRB3 P28472 1/20 0.72
GABRA5 P31644 1/20 0.72
GABRA3 P34903 1/20 0.72
GABRA2 P47869 1/20 0.72
GABRB2 P47870 1/20 0.72
GABRA4 P48169 1/20 0.72
GABRE P78334 1/20 0.72
GABRA6 Q16445 1/20 0.72
GABRG1 Q8N1C3 1/20 0.72
GABRG3 Q99928 1/20 0.72
GABRQ Q9UN88 1/20 0.72
ADORA3 P0DMS8 2/20 0.68
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
HPGD P15428 1/20 0.64

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
SCHEMBL10862685 0.91 ADORA3 (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10712253 0.88 ADORA3 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3567661 0.88 ADORA3 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10715388 0.88 ADORA3 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10713041 0.87 ADORA3 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22987949 0.85 KDM4E (0.72) ADORA3KDM4EALDH1A1HPGDHSD17B10
SCHEMBL10712450 0.85 GABRP (0.80) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29646331 0.85 GABRP (0.80) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10712254 0.84 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29646479 0.84 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293730-B2 Substituted imidazo[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2012-10-23 US disclosed
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES KNUST HENNER 2010-03-25 US disclosed
US-7671048-B2 Substituted imidazo [1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-02 US disclosed
US-7507728-B2 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1809297-B1 IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS HOFFMANN LA ROCHE (CH) 2008-07-30 EP disclosed
EP-1807432-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-07-18 EP disclosed
WO-2006045429-A1 HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-05-04 WO disclosed
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-04-20 US disclosed
US-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives HOFFMANN-LA ROCHE INC. 2006-04-13 US disclosed
US-4713383-A ADENOSINE AND BENZODIAZEPINE ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1987-12-15 US disclosed
EP-0181282-A1 Triazoloquinazoline compounds CIBA-GEIGY AG (CH) 1986-05-14 EP 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 (3 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-20060079507-A1 Substituted imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine derivatives GABRA3, GABRA1, OXER1 GABRP 61/4885GABRD 64/4885GABRA1 2/4885
US-20060084801-A1 Halogen substituted imidazol[1,5-A][1,2,4]triazolo[1,5-D][1,4]benzodiazepine derivatives GABRA1, GABRA4, GABRA5 GABRP 31/4885GABRD 21/4885GABRA1 1/4885
US-20100075954-A1 SUBSTITUTED IMIDAZO[1,5-A][1,2,4]TRIAZOLO[1,5-D][1,4]BENZODIAZEPINE DERIVATIVES GABRA1, GABRA5, ADRA1A GABRP 16/4885GABRD 61/4885GABRA1 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.