SCHEMBL5260168

SCHEMBL5260168

CC(Oc1cccc(-c2cnc3nc(C(F)(F)F)cnn23)c1)c1nc[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 13/20 0.40
GABRG2 P18507 13/20 0.40
GABRB3 P28472 13/20 0.40
GABRA2 P47869 10/20 0.40
GABRA5 P31644 8/20 0.39
GABRA3 P34903 8/20 0.39
DYRK1A Q13627 3/20 0.37
THRB P10828 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIM1 P11309 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL5262452 0.85 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL5262983 0.72 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6202841 0.72 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6201966 0.72 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL5260164 0.71 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6198921 0.70 FYN (0.51) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6200896 0.70 GABRA1 (0.54) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6202612 0.70 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6200443 0.69 SYK (0.48) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL6199865 0.69 GABRA1 (0.54) 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 4 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

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.