SCHEMBL14092

SCHEMBL14092

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(C(F)(F)F)cc3)nc2=O)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.39
RET P07949 5/20 0.39
MTOR P42345 2/20 0.37
IGF1R P08069 2/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
LYN P07948 1/20 0.36
SYK P43405 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK10 P53779 1/20 0.36
EPHX2 P34913 2/20 0.36
GOT1 P17174 1/20 0.35
KIT P10721 1/20 0.34
RORC P51449 1/20 0.34
ROCK1 Q13464 1/20 0.34
MYLK4 Q86YV6 1/20 0.34
RIPK1 Q13546 1/20 0.34
NAMPT P43490 1/20 0.34
STING1 Q86WV6 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
SCHEMBL17354137 0.93 KDR (0.40) KDRRETLYNKITROCK1
SCHEMBL14850217 0.90 CHEK1 (0.36) KDRRETKIT
SCHEMBL14229 0.89 MEN1 (0.38) KDRRETEPHX2ROCK1MYLK4
SCHEMBL13772 0.88 IGF1R (0.36) KDRRETIGF1RIKBKBCHUK
SCHEMBL14850216 0.88 DDX3X (0.39) KDRKITROCK1
SCHEMBL13999 0.86 KDR (0.43) KDRRETLYNKITRIPK1
SCHEMBL17354147 0.86 RET (0.36) KDRRETIGF1RIKBKBCHUK
SCHEMBL17354136 0.86 MAPT (0.36) KDRRETIGF1RIKBKBCHUK
SCHEMBL14074 0.84 DGAT2 (0.36) IGF1RIKBKBCHUKLYNSYK
SCHEMBL14155 0.84 RET (0.43) KDRRET

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 4838/4885RET 4806/4885MTOR 3122/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDR 4838/4885RET 4806/4885MTOR 3122/4885

“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.