SCHEMBL14252

SCHEMBL14252

CN(CCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1)C(=N)N

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
IDH2 P48735 1/20 0.36
NAMPT P43490 1/20 0.35
ABL1 P00519 1/20 0.34
DGAT1 O75907 1/20 0.33
RORC P51449 5/20 0.32
IGF1R P08069 3/20 0.32
SCN9A Q15858 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
IDH1 O75874 1/20 0.31
GBA1 P04062 1/20 0.31
P2RY1 P47900 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
SCHEMBL17486570 0.91 IGF1R (0.33) IGF1RHDAC1HDAC6
SCHEMBL14850192 0.89 KDR (0.41) KDRKITFLT3IDH2NAMPT
SCHEMBL13748 0.88 KIT (0.40) KDRKITFLT3IDH2NAMPT
SCHEMBL14142 0.88 KDR (0.41) KDRKITFLT3IDH2NAMPT
SCHEMBL17354172 0.88 KDR (0.37) KDRKITFLT3
SCHEMBL13749 0.87 KDR (0.42) KDRKITFLT3IDH2NAMPT
SCHEMBL17485881 0.87 KIT (0.40) KDRKITFLT3IDH2NAMPT
SCHEMBL14106 0.87 KDR (0.35) KDRKITFLT3IDH2ABL1
SCHEMBL14850215 0.87 KIT (0.41) KDRKITFLT3IDH2NAMPT
SCHEMBL17485861 0.86 KDR (0.39) KDRKITFLT3IDH2NAMPT

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 8 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-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.