SCHEMBL19200461

SCHEMBL19200461

Cc1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(F)cc2c(C#N)cc(=O)n(C3CC3)c12

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.43
SUV39H2 Q9H5I1 4/20 0.42
CTSK P43235 2/20 0.41
KDM4D Q6B0I6 2/20 0.41
DPP4 P27487 1/20 0.39
JAK3 P52333 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL19200959 0.89 KCNH2 (0.43) KCNH2CTSKKDM4D
SCHEMBL17494486 0.89 KCNH2 (0.47) KCNH2BTK
SCHEMBL19194853 0.87 KCNH2 (0.41) KCNH2
SCHEMBL19194759 0.86 KCNH2 (0.47) KCNH2
SCHEMBL19200526 0.86 CTSK (0.43) SUV39H2CTSKKDM4DDPP4JAK3
SCHEMBL19200393 0.85 KCNH2 (0.60) KCNH2SUV39H2CTSKKDM4DDPP4
SCHEMBL17494367 0.83 KCNH2 (0.39) KCNH2
SCHEMBL17494369 0.83 KCNH2 (0.39) KCNH2
SCHEMBL19194825 0.82 KCNH2 (0.41) KCNH2KDM4D
SCHEMBL19200960 0.82 CTSK (0.39) SUV39H2CTSKKDM4DDPP4JAK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 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-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS TOP1, NQO2, TOP2A KCNH2 3467/4885SUV39H2 3421/4885CTSK 901/4885

“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.