SCHEMBL14158

SCHEMBL14158

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)nc2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.40
RET P07949 11/20 0.39
KDR P35968 5/20 0.39
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
LYN P07948 2/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
IGF1R P08069 1/20 0.35
SYK P43405 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
EIF2AK2 P19525 1/20 0.35
BRAF P15056 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
CSF1R P07333 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
SCHEMBL17354280 0.89 KDR (0.34) RETKDRKITFLT3
SCHEMBL14262 0.87 RIPK1 (0.40) RIPK1RETKDRLYNIKBKB
SCHEMBL13999 0.86 KDR (0.43) RIPK1RETKDRLYNABL1
SCHEMBL14161 0.86 CNR1 (0.35) RETKDRLYNIGF1RABL1
SCHEMBL13754 0.85 IGF1R (0.40) RIPK1RETKDRLYNIKBKB
SCHEMBL13623 0.84 KDR (0.43) RIPK1RETKDRBRAFFLT3
SCHEMBL14155 0.84 RET (0.43) RETKDR
SCHEMBL17354141 0.84 KDR (0.36) RIPK1RETKDRCLK1LYN
SCHEMBL14850233 0.84 RET (0.32) RETKDR
SCHEMBL14169 0.84 EPHX2 (0.40) RETKDRLYNIGF1RABL1

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 RIPK1 2895/4885RET 4806/4885KDR 4838/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT RIPK1 2895/4885RET 4806/4885KDR 4838/4885

“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.