SCHEMBL19200526

SCHEMBL19200526

CC(C)(C)OC(=O)N[C@H]1CCN(c2c(F)cc3c(O)cc(=O)n(C4CC4)c3c2C#N)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.43
KDM4D Q6B0I6 10/20 0.43
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
SUV39H2 Q9H5I1 4/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
DPP4 P27487 1/20 0.37

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 0.90 KCNH2 (0.43) CTSKKDM4DPIM1PIM3PIM2
SCHEMBL19200960 0.89 CTSK (0.39) CTSKKDM4DJAK3BTKSUV39H2
SCHEMBL19200972 0.87 KCNH2 (0.45) CTSKKDM4DJAK3BTKSUV39H2
SCHEMBL17494334 0.87 CTSK (0.38) CTSKKDM4DJAK3BTKSUV39H2
SCHEMBL19200461 0.86 KCNH2 (0.43) CTSKKDM4DJAK3BTKSUV39H2
SCHEMBL4510225 0.85 CTSK (0.41) CTSKKDM4DJAK3BTKSUV39H2
SCHEMBL17494214 0.84 KDM4D (0.36) CTSKKDM4DJAK3BTKAAK1
SCHEMBL17494213 0.84 KDM4D (0.36) CTSKKDM4DJAK3BTKAAK1
SCHEMBL19195418 0.82 KCNH2 (0.39) PIM1PIM3
SCHEMBL19194963 0.80 GFER (0.36) KDM4DJAK3DPP4

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 CTSK 901/4885KDM4D 2537/4885JAK3 4110/4885

“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.