SCHEMBL2655253

SCHEMBL2655253

COc1ccc(OC)c(CN2Cc3nc4c(-c5cccnc5OC)cccc4c(N)c3C2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ GABRG2 P18507 10/20 0.37
▸ GABRB3 P28472 10/20 0.37
▸ GABRA2 P47869 10/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ PDE5A O76074 1/20 0.35
▸ LMNA P02545 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
SCHEMBL2657235 0.88 GABRG2 (0.41) HSP90AB1KDM4EALDH1A1HSP90AA1GABRG2
SCHEMBL2655786 0.88 KDM4E (0.40) KDM4EALDH1A1LMNA
SCHEMBL2661915 0.87 MEN1 (0.38) ALDH1A1RXFP1PDE5ALMNA
SCHEMBL2661969 0.85 PDE5A (0.45) KDM4EALDH1A1RXFP1PDE5A
SCHEMBL2659013 0.85 KDM4E (0.41) HSP90AB1KDM4EALDH1A1HSP90AA1PDE5A
SCHEMBL2656785 0.84 PIK3CA (0.37) GABRG2GABRB3GABRA2PDE5A
SCHEMBL4922433 0.82 PIK3CA (0.36) KDM4EALDH1A1GABRG2GABRB3GABRA2
SCHEMBL2661248 0.81 GABRG2 (0.45) KDM4EALDH1A1GABRG2GABRB3GABRA2
SCHEMBL2661302 0.81 HPGD (0.44) KDM4EALDH1A1PDE5ALMNA
SCHEMBL2660902 0.81 GABRG2 (0.45) KDM4EALDH1A1GABRG2GABRB3GABRA2

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 9 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
US-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — US 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
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 HSP90AB1 4007/4885KDM4E 2357/4885ALDH1A1 442/4885

“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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