SCHEMBL2658741

SCHEMBL2658741

CC(C)(O)c1cnn2c(-c3ccc(F)c(-c4c(F)cccc4C#N)c3F)cnc2n1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.77
GABRG2 P18507 20/20 0.77
GABRB3 P28472 20/20 0.77
GABRA3 P34903 16/20 0.77
GABRA5 P31644 13/20 0.77
GABRA2 P47869 11/20 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
SCHEMBL1081801 0.87 GABRA1 (1.00) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657699 0.86 GABRA1 (0.74) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657841 0.85 GABRA1 (0.77) GABRA1GABRG2GABRB3GABRA3GABRA5
Phosphoric Acid SCHEMBL21496862 0.83 GABRA1 (0.92) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657953 0.82 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL26097107 0.82 GABRA1 (0.73) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL2657510 0.81 GABRA1 (0.70) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL1605144 0.80 GABRA1 (0.88) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL6199608 0.79 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA3GABRA5
SCHEMBL26099315 0.79 GABRA1 (0.61) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005431-B2 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2006-02-28 US claimed
US-20050165023-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US claimed
EP-1504007-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP claimed
WO-2003093272-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 WO claimed
US-7005431-B2 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. 2006-02-28 US disclosed
US-20050165023-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2005-07-28 US disclosed
EP-1504007-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LTD. (GB) 2005-02-09 EP disclosed
WO-2003093272-A1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2003-11-13 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-20050165023-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA5, GABRA3, GABRA2 GABRA1 5/4885GABRG2 15/4885GABRB3 7/4885

“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.