SCHEMBL4593043

SCHEMBL4593043

Fc1ccc2c(c1)-c1ncnn1Cc1c(-c3ccccc3)ncn1-2

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.70
GABRB3 P28472 20/20 0.70
GABRA5 P31644 20/20 0.70
GABRA1 P14867 4/20 0.68
GABRA3 P34903 4/20 0.68
GABRA2 P47869 4/20 0.68
GABRP O00591 1/20 0.68
GABRD O14764 1/20 0.68
GABRB1 P18505 1/20 0.68
GRM5 P41594 1/20 0.68
GABRB2 P47870 1/20 0.68
GABRA4 P48169 1/20 0.68
GABRE P78334 1/20 0.68
GABRA6 Q16445 1/20 0.68
GABRG1 Q8N1C3 1/20 0.68
GABRG3 Q99928 1/20 0.68
GABRQ Q9UN88 1/20 0.68

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
SCHEMBL4592520 0.89 GABRG2 (0.69) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2407652 0.82 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL4593123 0.81 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2685957 0.81 GABRG2 (0.76) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL1378929 0.81 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL2434413 0.81 GABRG2 (1.00) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3570896 0.80 GABRG2 (0.74) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9264493 0.80 GABRG2 (0.72) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL9268266 0.80 GABRG2 (0.62) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL3914523 0.80 GABRG2 (0.78) GABRG2GABRB3GABRA5GABRA1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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

“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.