SCHEMBL6201261

SCHEMBL6201261

Fc1ccc(-c2cnc3nc(C(F)(F)F)cnn23)cc1-c1ccco1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 18/20 0.60
GABRG2 P18507 18/20 0.60
GABRB3 P28472 18/20 0.60
GABRA2 P47869 11/20 0.60
GABRA3 P34903 15/20 0.54
GABRA5 P31644 13/20 0.54
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6202612 0.85 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202836 0.83 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200800 0.82 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201629 0.81 GABRA1 (0.78) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201868 0.81 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201556 0.80 GABRA1 (0.81) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200691 0.80 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202630 0.80 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202106 0.79 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202356 0.79 GABRG2 (0.79) GABRA1GABRG2GABRB3GABRA2GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP claimed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US claimed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 US claimed
EP-1343788-B1 IMIDAZO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2005-11-23 EP disclosed
US-6936608-B2 Imidazo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2005-08-30 US disclosed
US-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors MERCK SHARP & DOHME LTD. (GB) 2004-02-05 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-20040023964-A1 Imidazo-triazine derivatives as ligands for gaba receptors GABRA2, GABRA5, GABRA1 GABRA1 3/4885GABRG2 14/4885GABRB3 9/4885

“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.