SCHEMBL17494265

SCHEMBL17494265

CCOC(=O)c1cc2cc(F)c(N3CCC([C@H](C)NC(=O)OC(C)(C)C)C3)c(CC)c2n(C2CC2)c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.45
SCN5A Q14524 2/20 0.42
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CACNA1C Q13936 1/20 0.36
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
FGFR1 P11362 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CDK2 P24941 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33

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
SCHEMBL17494262 1.00 KCNH2 (0.45) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494427 0.93 KCNH2 (0.53) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494254 0.93 KCNH2 (0.53) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494346 0.93 KCNH2 (0.53) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494235 0.92 SCN5A (0.48) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494238 0.92 SCN5A (0.48) KCNH2SCN5ACYP1A2CYP3A4CYP2D6
SCHEMBL17494392 0.86 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL17494391 0.86 KCNH2 (0.44) KCNH2SCN5A
SCHEMBL17494241 0.84 ALDH1A1 (0.36) KCNH2SCN5ACDK4CCND1FGFR1
SCHEMBL17494257 0.84 ALDH1A1 (0.36) KCNH2SCN5ACDK4CCND1FGFR1

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
US-10160726-B2 Quinolone derivatives as antibacterials NOVARTIS AG (CH) 2018-12-25 US disclosed
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 US disclosed
EP-3177593-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS Novartis AG (CH) 2017-06-14 EP disclosed
WO-2016020836-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS NOVARTIS AG (CH) 2016-02-11 WO 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 (2 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 3467/4885SCN5A 1288/4885CYP1A2 139/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A KCNH2 3467/4885SCN5A 1288/4885CYP1A2 139/4885

“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.