SCHEMBL2655529

SCHEMBL2655529

COc1cc(-c2cccc3c(N)c4c(nc23)CN(C2=CC=C2)C4=O)c(OC)nn1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GABRG2 P18507 4/20 0.35
▸ GABRB3 P28472 4/20 0.35
▸ GABRA2 P47869 4/20 0.35
▸ PLAU P00749 1/20 0.31
▸ TEC P42680 1/20 0.31
▸ BMX P51813 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL2656461 0.87 BRD9 (0.41) GABRG2GABRB3GABRA2PLAU
SCHEMBL2655790 0.87 GABRG2 (0.37) GABRG2GABRB3GABRA2
SCHEMBL2656588 0.86 — —
SCHEMBL2655369 0.86 GRM5 (0.33) GABRG2GABRB3GABRA2
SCHEMBL2655687 0.85 GABRG2 (0.33) GABRG2GABRB3GABRA2MDM2
SCHEMBL2656934 0.84 PIK3CA (0.38) GABRG2GABRB3GABRA2BTKMDM2
SCHEMBL2657053 0.84 GABRG2 (0.45) GABRG2GABRB3GABRA2PLAUMDM2
SCHEMBL2661263 0.84 TNIK (0.30) —
SCHEMBL2657425 0.84 BRD9 (0.32) —
SCHEMBL2657798 0.83 HSP90AA1 (0.37) BTK

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 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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