SCHEMBL5766441

SCHEMBL5766441

CC(C)(C)c1cc2nnc(-c3ccccc3F)n2nc1OCc1ncn[nH]1

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 20/20 0.66
GABRB3 P28472 20/20 0.66
GABRA3 P34903 20/20 0.66
GABRA1 P14867 8/20 0.66
GABRA2 P47869 5/20 0.66
GABRA5 P31644 5/20 0.66

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
SCHEMBL6522799 0.82 GABRG2 (0.60) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL341479 0.80 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA2
Mk-0777 SCHEMBL1042961 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
Mk-0777 SCHEMBL29469728 0.80 GABRG2 (1.00) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2662027 0.79 GABRG2 (0.64) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2662134 0.79 GABRG2 (0.66) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2654371 0.78 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL2658340 0.78 GABRG2 (0.65) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL12794146 0.76 GABRG2 (0.73) GABRG2GABRB3GABRA3GABRA1GABRA2
SCHEMBL12794104 0.76 GABRG2 (0.71) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430055-B1 7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(2H-¬1,2,4|TRIAZOL-3-YLMETHOXY)-¬1,2,4|TRIAZOLO¬4,3-B|PYRIDAZINE FOR THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME (GB) 2006-07-12 EP claimed
US-7015224-B2 7-Tert-butyl-3-(2-fluorophenyl)-6-(2H-(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo (4,3b) pyridazine for the treatment of anxiety and convulsions MERCK SHARP & DOHME LTD. 2006-03-21 US claimed
US-20040242586-A1 7-Tert-butyl-3-(2-fluoropenyl)-6-(2h(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo 4,3b)pyridazine for the treatment of anxiety and convulsions MERCK SHARP & DOHME LTD. (GB) 2004-12-02 US claimed
EP-1430055-B1 7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(2H-¬1,2,4|TRIAZOL-3-YLMETHOXY)-¬1,2,4|TRIAZOLO¬4,3-B|PYRIDAZINE FOR THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME (GB) 2006-07-12 EP disclosed
US-7015224-B2 7-Tert-butyl-3-(2-fluorophenyl)-6-(2H-(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo (4,3b) pyridazine for the treatment of anxiety and convulsions MERCK SHARP & DOHME LTD. 2006-03-21 US disclosed
US-20040242586-A1 7-Tert-butyl-3-(2-fluoropenyl)-6-(2h(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo 4,3b)pyridazine for the treatment of anxiety and convulsions MERCK SHARP & DOHME LTD. (GB) 2004-12-02 US disclosed
EP-1430055-A1 7-TERT-BUTYL-3-(2-FLUOROPHENYL)-6-(2H-[1,2,4]TRIAZOL-3-YLMETHOXY)-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE FOR THE TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2004-06-23 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 (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-20040242586-A1 7-Tert-butyl-3-(2-fluoropenyl)-6-(2h(1,2,4)triazol-3-ylmethoxy)-(1,2,4)triazolo 4,3b)pyridazine for the treatment of anxiety and convulsions GABRA3, GABRA4, GABBR1 GABRG2 13/4885GABRB3 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.