SCHEMBL3920296

SCHEMBL3920296

COc1ccc2nccc(C3CN(CCCNCc4ccc5c(n4)NC(=O)CO5)C(=O)O3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 19/20 0.50
CCR8 P51685 1/20 0.49

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
SCHEMBL3919647 0.87 CCR8 (0.67) KCNH2CCR8
SCHEMBL3919654 0.87 CCR8 (0.67) KCNH2CCR8
SCHEMBL3918455 0.87 CCR8 (0.49) KCNH2CCR8
Hydrochloric Acid SCHEMBL3923830 0.86 CCR8 (0.66) KCNH2CCR8
Hydrochloric Acid SCHEMBL3923840 0.86 CCR8 (0.66) KCNH2CCR8
SCHEMBL4716097 0.84 CCR8 (0.49) KCNH2CCR8
SCHEMBL3925031 0.82 CCR8 (0.52) KCNH2CCR8
SCHEMBL3925037 0.82 CCR8 (0.52) KCNH2CCR8
SCHEMBL4718242 0.82 CCR8 (0.47) KCNH2CCR8
Hydrochloric Acid SCHEMBL4716967 0.82 CCR8 (0.52) KCNH2CCR8

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
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US claimed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP claimed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US claimed
US-7491714-B2 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2009-02-17 US disclosed
EP-1567520-B1 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2008-10-15 EP disclosed
EP-1567520-A4 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2006-08-02 EP disclosed
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US disclosed
EP-1567520-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2005-08-31 EP disclosed
WO-2004050036-A2 QUINOLINES AND NITROGENATED DERIVATIVES THEREOF AND THEIR USE AS ANTIBACTERIAL AGENTS GLAXO GROUP LIMITED (GB) 2004-06-17 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-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents NQO2, NQO1, NPM1 KCNH2 2541/4885CCR8 4506/4885

“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.