SCHEMBL13843

SCHEMBL13843

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.33
LIMK1 P53667 3/20 0.33
IGF1R P08069 6/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
LYN P07948 1/20 0.32
SYK P43405 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
KLKB1 P03952 1/20 0.32
RIPK1 Q13546 4/20 0.32
TDO2 P48775 1/20 0.31
DGAT1 O75907 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL17354391 0.94 LIMK1 (0.36) ROCK2LIMK1IGF1RIKBKBCHUK
SCHEMBL14383 0.90 IGF1R (0.36) ROCK2LIMK1IGF1RIKBKBCHUK
SCHEMBL14850210 0.90 LYN (0.33) ROCK2LIMK1IGF1RIKBKBCHUK
SCHEMBL14850258 0.86 MARS1 (0.31) IGF1R
SCHEMBL17354323 0.86 ROCK2 (0.32) ROCK2LIMK1IGF1RTDO2KDR
SCHEMBL17354350 0.86 KDR (0.35) ROCK2LIMK1LYNKDRFLT3
SCHEMBL13568 0.84 KDR (0.37) IGF1RDGAT1KDRFLT3
SCHEMBL17354272 0.84 LIMK1 (0.39) ROCK2LIMK1IGF1RIKBKBCHUK
SCHEMBL17354236 0.84 F2 (0.34) ROCK2LIMK1KDR
SCHEMBL14069 0.83 LYN (0.34) ROCK2LIMK1IGF1RIKBKBCHUK

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 ROCK2 3307/4885LIMK1 3838/4885IGF1R 4795/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ROCK2 3307/4885LIMK1 3838/4885IGF1R 4795/4885

“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.