SCHEMBL13754

SCHEMBL13754

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(C(F)(F)F)cc3Cl)nc2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.40
LYN P07948 2/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
SYK P43405 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
KDR P35968 4/20 0.40
NTRK1 P04629 3/20 0.40
RET P07949 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
CDK8 P49336 1/20 0.40
NTRK3 Q16288 1/20 0.40
MAPK14 Q16539 1/20 0.40
NTRK2 Q16620 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL14262 0.94 RIPK1 (0.40) IGF1RLYNIKBKBCHUKSYK
SCHEMBL13805 0.91 GCGR (0.36) LYNKDRNTRK1FLT3ABL1
SCHEMBL17354277 0.89 POLB (0.40) KDRNTRK1RETPDGFRBPDGFRA
SCHEMBL13789 0.89 ALDH2 (0.35) IGF1RLYNIKBKBCHUKSYK
SCHEMBL13586 0.87 MAPT (0.44) LYNKDRCA12CA1CA2
SCHEMBL14008 0.87 ALDH2 (0.33) IGF1RLYNKDRNTRK1RET
SCHEMBL13703 0.87 LYN (0.39) IGF1RLYNIKBKBCHUKSYK
SCHEMBL17354181 0.86 BDKRB1 (0.34) KDRNTRK1RETPDGFRBPDGFRA
SCHEMBL13729 0.86 KMT2A (0.36) IGF1RLYNKDRNTRK1CA12
SCHEMBL13623 0.85 KDR (0.43) KDRRETPDGFRBCA1CA2

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 IGF1R 4795/4885LYN 3581/4885IKBKB 2574/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IGF1R 4795/4885LYN 3581/4885IKBKB 2574/4885

“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.