SCHEMBL2661938

SCHEMBL2661938

COc1ccc(F)c(-c2cccc3c(N)c4c(nc23)CN(C)C4=O)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 14/20 0.38
▸ GABRB3 P28472 14/20 0.38
▸ GABRA2 P47869 14/20 0.38
▸ EEF2K O00418 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ENPP3 O14638 1/20 0.35
▸ ENPP1 P22413 1/20 0.35

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
SCHEMBL2661488 0.92 GRM2 (0.41) GABRG2GABRB3GABRA2HRH4RXRA
SCHEMBL4922967 0.88 GABRG2 (0.39) GABRG2GABRB3GABRA2EEF2KGABRA1
SCHEMBL2661952 0.88 PDE5A (0.40) GABRG2GABRB3GABRA2EEF2KGABRA1
SCHEMBL4916340 0.87 CRHR1 (0.44) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4913381 0.87 PDE4A (0.40) GABRG2GABRB3GABRA2EEF2K
SCHEMBL2657023 0.86 GABRG2 (0.37) GABRG2GABRB3GABRA2EEF2KGABRA1
SCHEMBL4921314 0.85 GABRG2 (0.41) GABRG2GABRB3GABRA2EEF2K
SCHEMBL2656734 0.85 BACE1 (0.38) GABRG2GABRB3GABRA2GABRA1GABRA5
SCHEMBL4925336 0.84 HRH4 (0.40) HRH4KDM4EALDH1A1ENPP1
SCHEMBL4921019 0.83 HRH4 (0.37) HRH4NPC1RAB9AENPP3ENPP1

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-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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF GABRG2 592/4885GABRB3 332/4885GABRA2 218/4885

“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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