SCHEMBL6202612

SCHEMBL6202612

FC(F)(F)c1cnn2c(-c3cccc(-c4ccco4)c3)cnc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.46
GABRG2 P18507 9/20 0.46
GABRB3 P28472 9/20 0.46
GABRA2 P47869 6/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GABRA5 P31644 7/20 0.43
GABRA3 P34903 7/20 0.43
FLT3 P36888 2/20 0.41
TDP1 Q9NUW8 1/20 0.38
FYN P06241 1/20 0.38
RCE1 Q9Y256 1/20 0.37

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
SCHEMBL6201261 0.85 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL6203045 0.82 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6200896 0.80 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6201966 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL6202841 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL5262983 0.80 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6197406 0.80 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6203180 0.79 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA2KDM4E
SCHEMBL6202421 0.79 GABRG2 (0.60) GABRA1GABRG2GABRB3GABRA2SMN1; SMN2
SCHEMBL6199182 0.79 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA2GABRA5

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.