SCHEMBL6773403

SCHEMBL6773403

Cn1ncnc1COc1nn2c(-c3ccc(F)c(F)c3)nnc2cc1C1CCC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.77
GABRB3 P28472 20/20 0.77
GABRA3 P34903 20/20 0.77
GABRA1 P14867 10/20 0.77
GABRA2 P47869 7/20 0.77
GABRA5 P31644 4/20 0.77

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
SCHEMBL6774402 0.91 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2655130 0.89 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7960043 0.88 GABRG2 (0.84) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2657579 0.88 GABRG2 (0.78) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL220805 0.87 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6772674 0.87 GABRG2 (0.75) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2656796 0.87 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL7960423 0.86 GABRG2 (0.83) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL6769111 0.86 GABRG2 (0.82) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL340891 0.85 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2

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-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2004-04-01 US claimed
US-6828322-B2 Substituted 1,2, 4-triazolo(4,3-b)pyridazine derivatives; anxiolytic; anticonvulsant; antimigraine MERCK SHARP & DOHME LTD. 2004-12-07 US disclosed
US-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors CARLING WILLIAM ROBERT (GB) 2004-04-01 US disclosed
US-6579875-B1 Treatment of anxiety and convulsions; 7-cyclobutyl-3-(2,6-difluorophenyl)-6-(2-methyl-2H-1,2,4-triazol-3 -ylmethyoxy)-1,2,4-triazolo(4,3-b) pyridazine MERCK SHARP & DOHME LIMITED 2003-06-17 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-20040063714-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors GABRA3, GABBR1, GABRA2 GABRG2 15/4885GABRB3 6/4885GABRA3 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.