SCHEMBL3918455

SCHEMBL3918455

COc1ccc2nccc(C3CN(CCCNCc4ccc5c(n4)NC(=O)CS5)C(=O)O3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 2/20 0.49
KCNH2 Q12809 2/20 0.41

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
SCHEMBL3918470 0.87 CCR8 (0.41) CCR8KCNH2
SCHEMBL3918474 0.87 CCR8 (0.41) CCR8KCNH2
SCHEMBL3920277 0.87 CCR8 (0.41) CCR8KCNH2
SCHEMBL3920296 0.87 KCNH2 (0.50) CCR8KCNH2
SCHEMBL4717181 0.81 CCR8 (0.41) CCR8
SCHEMBL4720275 0.81 CCR8 (0.41) CCR8
SCHEMBL4720230 0.77 CCR8 (0.54) CCR8KCNH2
SCHEMBL4069048 0.76 KCNH2 (0.42) KCNH2
SCHEMBL3922158 0.76 CCR8 (0.49) CCR8KCNH2
SCHEMBL3930790 0.76 CCR8 (0.49) CCR8KCNH2

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
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
US-20060116512-A1 Quinolines and nitrogenated derivatives thereof and their use as antibacterial agents GLAXO GROUP LIMITED (GB) 2006-06-01 US 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 CCR8 4506/4885KCNH2 2541/4885

“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.