SCHEMBL13568

SCHEMBL13568

N=C(N)NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.37
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
RORC P51449 3/20 0.36
DGAT1 O75907 1/20 0.35
IDH2 P48735 1/20 0.35
ABL1 P00519 1/20 0.34
NAMPT P43490 2/20 0.34
IGF1R P08069 3/20 0.34
ATR Q13535 1/20 0.34
CAMKK2 Q96RR4 1/20 0.33
EGFR P00533 4/20 0.33
FGFR1 P11362 4/20 0.33
NTRK1 P04629 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL13748 0.91 KIT (0.40) KDRKITFLT3RORCDGAT1
SCHEMBL14850252 0.90 KDR (0.39) KDRKITFLT3RORCDGAT1
SCHEMBL17354350 0.87 KDR (0.35) KDRKITFLT3FGFR1
SCHEMBL13755 0.86 NAMPT (0.38) KDRKITFLT3DGAT1IDH2
SCHEMBL14850215 0.85 KIT (0.41) KDRKITFLT3RORCDGAT1
SCHEMBL17354323 0.85 ROCK2 (0.32) KDRIGF1R
SCHEMBL14850258 0.85 MARS1 (0.31) IGF1R
SCHEMBL13843 0.84 ROCK2 (0.33) KDRFLT3DGAT1IGF1R
SCHEMBL17354391 0.82 LIMK1 (0.36) KDRIGF1R
SCHEMBL13749 0.81 KDR (0.42) KDRKITFLT3RORCDGAT1

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 4838/4885KIT 3949/4885FLT3 3005/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDR 4838/4885KIT 3949/4885FLT3 3005/4885

“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.