SCHEMBL13872

SCHEMBL13872

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cccc(-n4cccc4)c3)nc2=O)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.36
RET P07949 3/20 0.36
IGF1R P08069 3/20 0.33
LYN P07948 2/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
SYK P43405 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK10 P53779 1/20 0.33
BTK Q06187 2/20 0.33
CNR1 P21554 2/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MET P08581 1/20 0.32
RIPK1 Q13546 1/20 0.31
ABL1 P00519 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 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
SCHEMBL14850240 0.85 KDR (0.41) KDRRETCNR1KIT
SCHEMBL14850239 0.85 RIPK1 (0.43) KDRCNR1RIPK1KITFLT3
SCHEMBL13618 0.83 ALDH2 (0.40) KDRRETIGF1RPDCD1LG2CD274
SCHEMBL17354191 0.83 KDR (0.40) KDRRETLYNNTRK1LCK
SCHEMBL17354141 0.83 KDR (0.36) KDRRETLYNMAPK10BTK
SCHEMBL14161 0.83 CNR1 (0.35) KDRRETIGF1RLYNCNR1
SCHEMBL14850233 0.83 RET (0.32) KDRRETBTKPDCD1LG2CD274
SCHEMBL14151 0.83 RET (0.34) KDRRETBTKCNR1ACHE
SCHEMBL13768 0.82 CA12 (0.34) KDRRETIGF1RLYNIKBKB
SCHEMBL13850 0.82 LMNA (0.42) KDRRETIGF1RLYNIKBKB

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 4806/4885IGF1R 4795/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDR 4838/4885RET 4806/4885IGF1R 4795/4885

“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.