SCHEMBL14323

SCHEMBL14323

N=C(Nc1nc(=O)c(-c2ccc(CNCCCN)c(F)c2)c[nH]1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.33
KDR P35968 6/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
ABL1 P00519 1/20 0.32
RORC P51449 1/20 0.32
KIT P10721 1/20 0.32
FLT3 P36888 1/20 0.32
ACHE P22303 4/20 0.32
TOP2A P11388 2/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
IDH2 P48735 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL14147 0.92 KDR (0.38) RETKDRABL1RORCKIT
SCHEMBL17354282 0.87 CD274 (0.34) KDRPDCD1LG2CD274ACHE
SCHEMBL13706 0.85 KIT (0.38) KDRABL1RORCKITFLT3
SCHEMBL14850254 0.85 BTK (0.35) RETKDRPDCD1LG2CD274ACHE
SCHEMBL14144 0.84 KDR (0.38) RETKDRABL1KITFLT3
SCHEMBL14134 0.84 ABL1 (0.39) RETKDRABL1RORCTRPA1
SCHEMBL13809 0.83 ABL1 (0.39) RETKDRABL1RORCTRPA1
SCHEMBL13687 0.82 IDH2 (0.39) KDRCD274ABL1RORCKIT
SCHEMBL17354473 0.82 IGF1R (0.37) RETKDRACHE
SCHEMBL13837 0.81 IDH2 (0.41) RETKDRABL1KITFLT3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 RET 4806/4885KDR 4838/4885PDCD1LG2 3978/4885

“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.