SCHEMBL14248

SCHEMBL14248

O=C(Nc1nc(=O)c(-c2ccc(CNCc3nccs3)cc2)c[nH]1)Nc1cc(F)c(F)cc1F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
LYN P07948 1/20 0.32
IGF1R P08069 1/20 0.32
SYK P43405 1/20 0.32
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PSMD14 O00487 1/20 0.32
HDAC1 Q13547 1/20 0.32
PDPK1 O15530 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
IDH2 P48735 1/20 0.31
VCP P55072 1/20 0.31
HPSE Q9Y251 1/20 0.31
BTK Q06187 1/20 0.31
MAPK1 P28482 1/20 0.31
GSK3B P49841 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
SCHEMBL17354154 0.94 ROCK2 (0.32) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13990 0.87 NAMPT (0.38) LYNHDAC1AKT1HPSEGSK3B
SCHEMBL17354163 0.85 KDR (0.39) MEN1KMT2AHDAC1AKT1AKT2
SCHEMBL14850199 0.85 CD274 (0.35) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13838 0.83 HDAC1 (0.31) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14850195 0.83 KDR (0.39) IGF1RMEN1KMT2AIDH2GAA
SCHEMBL14850196 0.82 KMT2A (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13637 0.82 LYN (0.36) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13849 0.82 S1PR1 (0.39) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13760 0.82 LYN (0.33) IKBKBCHUKLYNIGF1RSYK

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 IKBKB 2574/4885CHUK 2953/4885LYN 3581/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IKBKB 2574/4885CHUK 2953/4885LYN 3581/4885

“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.