SCHEMBL2653692

SCHEMBL2653692

CC(Oc1nn2c(-c3c(F)ccc(F)c3F)nnc2cc1C(C)(C)C)c1nc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA5 P31644 3/20 0.40
GABRA2 P47869 2/20 0.40

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
SCHEMBL341480 0.85 GABRG2 (0.54) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL341245 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL342401 0.74 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6620532 0.72 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2653685 0.72 GABRG2 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2652503 0.71 GABRG2 (0.75) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL342539 0.71 GABRG2 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6768905 0.70 GABRG2 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL341136 0.70 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL249110 0.70 GABRG2 (0.58) GABRA1GABRG2GABRB3GABRA3GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149102-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2004-12-08 EP claimed
US-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-08-21 US claimed
US-6500828-B1 TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2002-12-31 US claimed
EP-1149102-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-10-31 EP claimed
WO-2000044752-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-08-03 WO claimed
EP-1149102-B1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2004-12-08 EP disclosed
US-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors MERCK & CO., INC. 2003-08-21 US disclosed
US-6500828-B1 TREATMENT OF ANXIETY AND CONVULSIONS MERCK SHARP & DOHME LTD. (GB) 2002-12-31 US disclosed
EP-1149102-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2001-10-31 EP disclosed
WO-2000044752-A1 TRIAZOLO-PYRIDAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-08-03 WO 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-20030158203-A1 Triazolo-pyridazine derivatives as ligands for GABA receptors GABBR1, GABRA3, GABRA5 GABRA1 7/4885GABRG2 15/4885GABRB3 8/4885

“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.