SCHEMBL19200959

SCHEMBL19200959

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.43
KDM4D Q6B0I6 3/20 0.40
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
SCN5A Q14524 1/20 0.38
CTSK P43235 2/20 0.38

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
SCHEMBL19200526 0.90 CTSK (0.43) KDM4DPIM1PIM3PIM2CTSK
SCHEMBL19200461 0.89 KCNH2 (0.43) KCNH2KDM4DCTSK
SCHEMBL17494408 0.89 KCNH2 (0.46) KCNH2SCN5A
SCHEMBL17494367 0.86 KCNH2 (0.39) KCNH2PIM1PIM3PIM2SCN5A
SCHEMBL17494369 0.86 KCNH2 (0.39) KCNH2PIM1PIM3PIM2SCN5A
SCHEMBL19194786 0.85 KCNH2 (0.41) KCNH2
SCHEMBL19200323 0.85 KCNH2 (0.41) KCNH2
SCHEMBL4503926 0.85 PIM1 (0.39) KCNH2PIM1PIM3PIM2SCN5A
SCHEMBL19194757 0.85 KCNH2 (0.49) KCNH2SCN5A
SCHEMBL17494474 0.81 CDK4 (0.43) 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 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 3467/4885KDM4D 2537/4885PIM1 3527/4885

“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.