SCHEMBL4303013

SCHEMBL4303013

COc1ccc2ncc(=O)n(CC=O)c2n1.COc1ccc2ncc(=O)n(CCN3CCC[C@@H](CNC(=O)O)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.48
LTA4H P09960 1/20 0.36
EPHX2 P34913 1/20 0.36
AVPR1B P47901 4/20 0.36
SLC2A1 P11166 1/20 0.36
KDM2B Q8NHM5 1/20 0.35
PDE5A O76074 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
SCHEMBL4305547 0.94 KCNH2 (0.52) KCNH2LTA4HEPHX2AVPR1BKDM2B
SCHEMBL18529059 0.90 KCNH2 (0.55) KCNH2AVPR1BSLC2A1
SCHEMBL20679525 0.90 KCNH2 (0.55) KCNH2AVPR1BSLC2A1
SCHEMBL4294484 0.81 KCNH2 (0.52) KCNH2KDM2BPDE5A
SCHEMBL4298780 0.81 KCNH2 (0.55) KCNH2
SCHEMBL12046817 0.80 KCNH2 (0.71) KCNH2
SCHEMBL18544235 0.79 KCNH2 (0.50) KCNH2
SCHEMBL4303090 0.79 KCNH2 (0.52) KCNH2
SCHEMBL4303020 0.78 KCNH2 (0.44) KCNH2KDM2BPDE5A
SCHEMBL4298215 0.77 KCNH2 (0.53) KCNH2

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-2044077-B1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LTD (GB) 2016-10-05 EP disclosed
US-8071592-B2 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2011-12-06 US disclosed
US-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES GLAXO GROUP LIMITED (GB) 2009-10-29 US disclosed
EP-1992628-A1 Derivatives and analogs of N-ethylquinolones and N-ethylazaquinolones GLAXO GROUP LIMITED (GB) 2008-11-19 EP 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-20090270374-A1 DERIVATIVES AND ANALOGS OF N-ETHYLQUINOLONES AND N-ETHYLAZAQUINOLONES ETFA, NQO2, GNAQ KCNH2 2142/4885LTA4H 2641/4885EPHX2 1446/4885

“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.