SCHEMBL2657086

SCHEMBL2657086

COc1cc(F)ccc1-c1cccc2c(N)c3c(nc12)CN(C1=CC=C1)C3=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UGCG Q16739 4/20 0.36
▸ SCN9A Q15858 1/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ ADORA2A P29274 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GRIN1 Q05586 1/20 0.31
▸ GRIN2B Q13224 1/20 0.31

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
SCHEMBL2658318 0.93 GABRG2 (0.37) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL2658032 0.91 UGCG (0.33) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL2655753 0.91 UGCG (0.39) UGCGGABRG2GABRB3GABRA2ADORA2A
SCHEMBL4919724 0.90 CRHR1 (0.41) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2660626 0.88 GABRG2 (0.37) UGCGSCN9AGABRG2GABRB3GABRA2
SCHEMBL2657233 0.87 GABRA1 (0.43) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4912616 0.85 GABRG2 (0.48) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL2655844 0.85 GABRG2 (0.37) UGCGGABRG2GABRB3GABRA2ADORA2A
SCHEMBL2660785 0.85 GABRG2 (0.43) UGCGGABRG2GABRB3GABRA2GABRA1
SCHEMBL2657023 0.84 GABRG2 (0.37) GABRG2GABRB3GABRA2GABRA1GABRA5

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-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP claimed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US claimed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — WO claimed
EP-2176263-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS AstraZeneca AB (SE) 2010-04-21 — — EP disclosed
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US disclosed
WO-2008155572-A2 FUSED QUINOLINE DERIVATIVES USEFUL AS GABA MODULATORS ASTRAZENECA AB (SE) 2008-12-24 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF UGCG 2572/4885SCN9A 3078/4885GABRG2 592/4885

“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.

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