SCHEMBL14383

SCHEMBL14383

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
LYN P07948 1/20 0.36
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
LIMK1 P53667 4/20 0.35
ROCK2 O75116 3/20 0.35
RIPK1 Q13546 5/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
DGAT1 O75907 1/20 0.33
FLT3 P36888 1/20 0.32
CNR1 P21554 2/20 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
SCHEMBL17354272 0.93 LIMK1 (0.39) IGF1RIKBKBCHUKLYNSYK
SCHEMBL13843 0.90 ROCK2 (0.33) IGF1RIKBKBCHUKLYNSYK
SCHEMBL13637 0.89 LYN (0.36) IGF1RIKBKBCHUKLYNSYK
SCHEMBL13768 0.87 CA12 (0.34) IGF1RIKBKBCHUKLYNSYK
SCHEMBL17354235 0.86 LIMK1 (0.34) IGF1RIKBKBCHUKLYNSYK
SCHEMBL14140 0.86 IGF1R (0.34) IGF1RIKBKBCHUKLYNSYK
SCHEMBL13690 0.86 CA12 (0.33) IGF1RIKBKBCHUKLYNSYK
SCHEMBL17354348 0.85 KDR (0.37) IGF1RLYNLIMK1ROCK2FLT3
SCHEMBL17486571 0.85 IGF1R (0.38) IGF1RIKBKBCHUKLYNSYK
SCHEMBL17354391 0.84 LIMK1 (0.36) IGF1RIKBKBCHUKLYNSYK

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 IGF1R 4795/4885IKBKB 2574/4885CHUK 2953/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IGF1R 4795/4885IKBKB 2574/4885CHUK 2953/4885

“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.