SCHEMBL2644598

SCHEMBL2644598

N#Cc1cc(F)ccc1-c1cc(-c2cnnc(-c3ccc(F)cc3)n2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 12/20 0.48
GABRB3 P28472 12/20 0.48
GABRA1 P14867 10/20 0.48
GABRA5 P31644 10/20 0.48
GABRA3 P34903 10/20 0.48
GABRA2 P47869 6/20 0.48
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39

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
SCHEMBL2645638 0.92 GABRG2 (0.47) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2645882 0.90 CYP11B1 (0.50) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2645223 0.90 GABRG2 (0.46) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2645122 0.84 ALDH1A1 (0.59) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2645249 0.84 GABRG2 (0.46) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2645363 0.83 GABRG2 (0.51) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2644597 0.81 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3CYP11B2
SCHEMBL2644368 0.78 GABRG2 (0.45) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2644133 0.78 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA5GABRA3
SCHEMBL2653709 0.77 GABRG2 (0.48) GABRG2GABRB3GABRA1GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US claimed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 US claimed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 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-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 GABRG2 15/4885GABRB3 10/4885GABRA1 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.