Sugi Predict

Sugi Predict / Compounds / SCHEMBL2645113

SCHEMBL2645113

SCHEMBL2645113

Fc1ccc(-c2nncc(-c3ccc(F)c(-c4ccccc4F)c3)n2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 12/20 0.46
▸ GABRB3 P28472 12/20 0.46
▸ GABRA5 P31644 12/20 0.46
▸ GABRA3 P34903 12/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ GABRA1 P14867 7/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ ALOX5AP P20292 2/20 0.38
▸ FEN1 P39748 2/20 0.38
▸ PTPRC P08575 1/20 0.35
▸ PTPN1 P18031 1/20 0.35

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
SCHEMBL2645305 0.88 TRPA1 (0.43) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL2645797 0.86 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL2644902 0.86 GABRG2 (0.45) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL2645223 0.86 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644499 0.84 GABRG2 (0.59) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL2645812 0.84 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3L3MBTL1
SCHEMBL2644646 0.83 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3ALDH1A1
SCHEMBL2645638 0.83 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2645249 0.82 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL2644672 0.82 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3L3MBTL1

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 10/4885GABRA5 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.