SCHEMBL13842

SCHEMBL13842

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(F)c(F)c3)nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.39
KIT P10721 5/20 0.39
EPHB4 P54760 3/20 0.39
TEK Q02763 3/20 0.39
FLT1 P17948 3/20 0.39
FGFR1 P11362 2/20 0.39
EGFR P00533 1/20 0.39
PDGFRB P09619 1/20 0.39
NAMPT P43490 1/20 0.35
BLM P54132 1/20 0.35
JAK1 P23458 1/20 0.35
FLT3 P36888 5/20 0.34
LYN P07948 3/20 0.34
IGF1R P08069 2/20 0.34
ROCK1 Q13464 2/20 0.34
LCK P06239 2/20 0.34
CSF1R P07333 2/20 0.34
FLT4 P35916 2/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL17354193 0.92 KDR (0.42) KDRKITFLT1FGFR1BLM
SCHEMBL13751 0.89 LYN (0.34) KDRFLT1FGFR1FLT3LYN
SCHEMBL14850173 0.87 KDR (0.41) KDRKITFLT1NAMPTFLT3
SCHEMBL13780 0.86 LYN (0.33) KDRFLT1FGFR1PDGFRBFLT3
SCHEMBL14198 0.86 CNR1 (0.38) KDRKITNAMPTCSF1RROCK2
SCHEMBL14850202 0.85 HPSE (0.34) KDRFLT1FGFR1FLT3LYN
SCHEMBL14124 0.85 HPSE (0.34) KDRFLT1FGFR1FLT3LYN
SCHEMBL17354128 0.84 LYN (0.32) KDRKITEPHB4TEKFLT1
SCHEMBL13705 0.83 GPR142 (0.33) KDRFLT1FGFR1FLT3LYN
SCHEMBL14079 0.83 PARP1 (0.35) NAMPTROCK1ROCK2DYRK1ACHUK

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 KDR 4838/4885KIT 3949/4885EPHB4 4562/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDR 4838/4885KIT 3949/4885EPHB4 4562/4885

“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.