SCHEMBL2661488

SCHEMBL2661488

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 4/20 0.41
▸ PDE4A P27815 1/20 0.37
▸ GABRG2 P18507 7/20 0.36
▸ GABRB3 P28472 7/20 0.36
▸ GABRA2 P47869 7/20 0.36
▸ HRH4 Q9H3N8 1/20 0.36
▸ RXRA P19793 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ PRKAB2 O43741 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA2 P54646 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAG3 Q9UGI9 1/20 0.34
▸ PRKAG2 Q9UGJ0 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ SCN2A Q99250 1/20 0.34

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
SCHEMBL2661938 0.92 GABRG2 (0.38) GABRG2GABRB3GABRA2HRH4RXRA
SCHEMBL4916340 0.89 CRHR1 (0.44) GABRG2GABRB3GABRA2GRM5
SCHEMBL2661245 0.88 MAPT (0.39) GRM2PDE4AGABRG2GABRB3GABRA2
SCHEMBL4924490 0.88 PDE5A (0.40) GRM2PDE4AGABRG2GABRB3GABRA2
SCHEMBL2655963 0.87 PDE4A (0.46) GRM2PDE4AGABRG2GABRB3GABRA2
SCHEMBL2656734 0.85 BACE1 (0.38) GABRG2GABRB3GABRA2
SCHEMBL4925336 0.84 HRH4 (0.40) HRH4
SCHEMBL4921019 0.83 HRH4 (0.37) HRH4
SCHEMBL2655674 0.82 GABRA1 (0.46) GABRG2GABRB3GABRA2
SCHEMBL2661016 0.82 GRM2 (0.41) GRM2GABRG2GABRB3GABRA2HRH4

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 GRM2 316/4885PDE4A 639/4885GABRG2 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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