SCHEMBL17494201

SCHEMBL17494201

COC(=O)c1cc(F)c(Br)c(C#N)c1NC1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36
BTK Q06187 2/20 0.35
CHEK1 O14757 2/20 0.35
CHEK2 O96017 2/20 0.35
GAA P10253 1/20 0.34
OPRK1 P41145 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FASN P49327 1/20 0.33
YAP1 P46937 1/20 0.33
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL17494200 0.82 ROCK2 (0.39) ALDH1A1HPGDROCK2ROCK1BTK
SCHEMBL17494343 0.81 ROCK2 (0.40) KDM4EALDH1A1HPGDROCK2ROCK1
SCHEMBL19194821 0.79 ROCK2 (0.37) KDM4EALDH1A1HPGDROCK2ROCK1
SCHEMBL17494439 0.78 ROCK2 (0.36) ALDH1A1HPGDROCK2ROCK1BTK
SCHEMBL17494463 0.77 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL17494411 0.74 ALDH1A1 (0.37) KDM4EALDH1A1HPGDGAAOPRK1
SCHEMBL17494285 0.71 ROCK2 (0.34) ROCK2ROCK1GAAOPRK1
SCHEMBL4519070 0.70 ROCK2 (0.52) KDM4EALDH1A1HPGDROCK2ROCK1
SCHEMBL17494507 0.70 OPRK1 (0.33) ROCK2ROCK1OPRK1
SCHEMBL7045129 0.70 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAKMT2A

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 6 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
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 KDM4E 1964/4885ALDH1A1 1836/4885HPGD 185/4885
US-10160726-B2 Quinolone derivatives as antibacterials TOP1, NQO2, TOP2A KDM4E 1964/4885ALDH1A1 1836/4885HPGD 185/4885

“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.