Sugi Predict

Sugi Predict / Compounds / SCHEMBL14069

SCHEMBL14069

SCHEMBL14069

NC(=O)NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LYN P07948 2/20 0.34
▸ IGF1R P08069 2/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ CHUK O15111 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KDR P35968 3/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ FLT1 P17948 2/20 0.33
▸ LIMK1 P53667 2/20 0.33
▸ CSNK2A1 P68400 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ MET P08581 1/20 0.33
▸ FGFR1 P11362 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
SCHEMBL17354201 0.94 KDR (0.34) LYNIGF1RIKBKBCHUKSYK
SCHEMBL14850210 0.93 LYN (0.33) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13637 0.91 LYN (0.36) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13728 0.90 KDR (0.34) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13760 0.90 LYN (0.33) LYNIGF1RIKBKBCHUKSYK
SCHEMBL14850206 0.88 S1PR1 (0.38) LYNKDRROCK2FLT1LIMK1
SCHEMBL17354236 0.87 F2 (0.34) KDRROCK2LIMK1HDAC1
SCHEMBL13835 0.86 HTT (0.36) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13849 0.86 S1PR1 (0.39) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13955 0.86 LYN (0.31) LYNIGF1RIKBKBCHUKSYK

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 — — US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 — — 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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT LYN 3581/4885IGF1R 4795/4885IKBKB 2574/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT LYN 3581/4885IGF1R 4795/4885IKBKB 2574/4885

“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.