SCHEMBL2661358

SCHEMBL2661358

COc1ccc(CN2Cc3nc4c(-c5ccc(OC)c(OC)c5)cccc4c(N)c3C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.40
▸ PDE4A P27815 3/20 0.40
▸ PDE4B Q07343 3/20 0.40
▸ PDE4C Q08493 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ PIK3CG P48736 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HRH4 Q9H3N8 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CHRM5 P08912 1/20 0.36
▸ ABCB1 P08183 1/20 0.35
▸ ABCC1 P33527 1/20 0.35
▸ ABCG2 Q9UNQ0 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
SCHEMBL2661248 0.90 GABRG2 (0.45) PDE5AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2658867 0.88 MEN1 (0.45) PDE5AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2661222 0.88 CRHR1 (0.42) PDE5AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL2656333 0.87 PDE5A (0.44) PDE5APIK3CGALDH1A1KDM4EMEN1
SCHEMBL2661116 0.87 GABRG2 (0.42) PDE5AALDH1A1KDM4EENPP1
SCHEMBL2661185 0.86 GABRG2 (0.39) PDE5AKDM4ENPSR1ENPP1
SCHEMBL2661588 0.86 CYP11B1 (0.43) PDE5AHRH4KDM4EMEN1KMT2A
SCHEMBL2656131 0.86 TNIK (0.39) PDE5APIK3CGMEN1KMT2AHPGD
SCHEMBL2661184 0.86 KDM4E (0.39) PDE5AALDH1A1KDM4EMEN1KMT2A
SCHEMBL4924170 0.86 TP53 (0.42) PDE5APDE4APDE4BPDE4CPDE4D

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 PDE5A 742/4885PDE4A 639/4885PDE4B 715/4885

“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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