SCHEMBL13853

SCHEMBL13853

Cn1ccnc1CN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.35
IKBKB O14920 1/20 0.30
CHUK O15111 1/20 0.30
LYN P07948 1/20 0.30
IGF1R P08069 1/20 0.30
SYK P43405 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK10 P53779 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
FLT1 P17948 1/20 0.30
LTK P29376 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
CDK8 P49336 1/20 0.30
NTRK3 Q16288 1/20 0.30
NTRK2 Q16620 1/20 0.30
AURKB Q96GD4 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
SCHEMBL17354173 0.95 CXCR4 (0.34) CXCR4CSF1RRETPDGFRBPDGFRA
SCHEMBL17354156 0.89 CXCR4 (0.35) CXCR4PDGFRAKDRFLT3
SCHEMBL13751 0.88 LYN (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13705 0.87 GPR142 (0.33) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14251 0.86 KDR (0.34) CXCR4IGF1RKDRFLT3NTRK2
SCHEMBL14850204 0.86 IKBKB (0.32) CXCR4IKBKBCHUKLYNIGF1R
SCHEMBL13780 0.86 LYN (0.33) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14124 0.84 HPSE (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL14850202 0.84 HPSE (0.34) IKBKBCHUKLYNIGF1RSYK
SCHEMBL13838 0.84 HDAC1 (0.31) 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 CXCR4 2740/4885IKBKB 2574/4885CHUK 2953/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CXCR4 2740/4885IKBKB 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.