SCHEMBL17494385

SCHEMBL17494385

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
KCNH2 Q12809 5/20 0.40
PIM1 P11309 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
PIM3 Q86V86 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
TOP1 P11387 2/20 0.35
KDM1A O60341 1/20 0.35
TOP2A P11388 1/20 0.35
TOP2B Q02880 1/20 0.35

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
SCHEMBL17494387 1.00 ALDH1A1 (0.42) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL19181847 0.86 KCNH2 (0.49) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL19179907 0.86 KCNH2 (0.49) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL19179908 0.86 KCNH2 (0.49) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL17494206 0.81 KCNH2 (0.54) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL17494207 0.81 KCNH2 (0.54) ALDH1A1POLBCHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL19179918 0.80 KCNH2 (0.53) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL1381572 0.80 ALDH1A1 (0.43) ALDH1A1POLBCHRM2CHRM1OPRM1
Hydrochloric Acid SCHEMBL4524403 0.79 ALDH1A1 (0.42) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL17494248 0.78 KCNH2 (0.53) ALDH1A1POLBCHRM2CHRM1OPRM1

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 7 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 claimed
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
US-20170217897-A1 QUINOLONE DERIVATIVES AS ANTIBACTERIALS WUXI APPTEC (CN) 2017-08-03 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 ALDH1A1 1836/4885POLB 45/4885CHRM2 4694/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A ALDH1A1 1836/4885POLB 45/4885CHRM2 4694/4885

“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.