SCHEMBL5259251

SCHEMBL5259251

O=Cc1cc(-c2cnc3nc(C(F)(F)F)cnn23)ccc1F

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 20/20 0.57
GABRG2 P18507 20/20 0.57
GABRB3 P28472 20/20 0.57
GABRA2 P47869 11/20 0.57
GABRA3 P34903 16/20 0.50
GABRA5 P31644 14/20 0.50

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
SCHEMBL6200597 0.84 GABRA1 (0.61) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL5259781 0.82 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL5261634 0.82 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6202804 0.80 GABRA1 (0.47) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6200800 0.80 GABRA1 (0.72) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201330 0.80 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL5264102 0.80 GABRA1 (0.55) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL5262785 0.79 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201868 0.78 GABRA1 (0.66) GABRA1GABRG2GABRB3GABRA2GABRA3
SCHEMBL6201629 0.78 GABRA1 (0.78) 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-1451161-B1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 2007-04-18 EP claimed
US-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands BETTATI MICHELA 2006-02-23 US claimed
EP-1451161-B1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME (GB) 2007-04-18 EP disclosed
US-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands BETTATI MICHELA 2006-02-23 US disclosed
EP-1451161-A1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS Merck Sharp & Dohme Limited (GB) 2004-09-01 EP disclosed
WO-2003048132-A1 IMIDAZOPYRIDINES, PYRIMIDINES AND TRIAZINES FOR ENHANCING COGNITION AS GABA-A ALPHA 5 RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LIMITED (GB) 2003-06-12 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-20060040940-A1 Imidazopyridines pyrimidines and triazines for enhancing cognition as gaba-a-alphas 5 receoptor subtype ligands CHRNA3, GABRA3, GABRB3 GABRA1 8/4885GABRG2 61/4885GABRB3 3/4885

“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.