SCHEMBL4065674

SCHEMBL4065674

COc1cnc2ncc(Cl)c(N3CCN(CCNCc4ccc5c(n4)NC(=O)CS5)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.41
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
AURKA O14965 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
SCHEMBL4068253 0.91 KCNH2 (0.48) KCNH2
SCHEMBL4063525 0.89 KCNH2 (0.44) KCNH2
SCHEMBL4069052 0.88 KCNH2 (0.44) KCNH2
SCHEMBL4067925 0.85 KCNH2 (0.49) KCNH2
SCHEMBL4068256 0.85 KCNH2 (0.35) KCNH2
SCHEMBL4075361 0.83 KCNH2 (0.43) KCNH2
SCHEMBL2946555 0.82 KCNH2 (0.48) KCNH2
SCHEMBL4064236 0.81 KCNH2 (0.51) KCNH2
SCHEMBL4067847 0.80 KCNH2 (0.54) KCNH2
Hydrochloric Acid SCHEMBL5745037 0.78 KCNH2 (0.49) 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-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP claimed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 US claimed
EP-1605938-B1 Antibacterial derivatives of napthydrin and quinoline GLAXO GROUP LTD (GB) 2009-02-11 EP disclosed
US-20060189601-A1 Antibacterial agents GLAXO GROUP LIMITED (GB) 2006-08-24 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-20060189601-A1 Antibacterial agents NQO2, NRDC, IFNG KCNH2 3365/4885DRD2 2756/4885DRD4 1869/4885

“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.