SCHEMBL14251

SCHEMBL14251

Cn1ccnc1CN(CCCN)Cc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.34
KIT P10721 1/20 0.34
FLT3 P36888 1/20 0.34
IDH2 P48735 1/20 0.34
CXCR4 P61073 2/20 0.33
DGAT1 O75907 1/20 0.33
EGFR P00533 3/20 0.33
FGFR1 P11362 3/20 0.33
P2RY1 P47900 2/20 0.32
ABL1 P00519 1/20 0.32
IGF1R P08069 1/20 0.31
NTRK1 P04629 2/20 0.31
ATR Q13535 1/20 0.31
KCNH2 Q12809 1/20 0.30
FFAR1 O14842 1/20 0.30
SCN9A Q15858 1/20 0.30
NAMPT P43490 1/20 0.30
UBE2M P61081 1/20 0.30
DCUN1D1 Q96GG9 1/20 0.30
NTRK2 Q16620 1/20 0.30

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
SCHEMBL13589 0.90 KDR (0.40) KDRKITFLT3IDH2DGAT1
SCHEMBL17354156 0.89 CXCR4 (0.35) KDRKITFLT3CXCR4
SCHEMBL14850207 0.89 NAMPT (0.39) KDRKITFLT3IDH2DGAT1
SCHEMBL14850205 0.88 KDR (0.36) KDRKITFLT3IDH2DGAT1
SCHEMBL13975 0.88 KDR (0.38) KDRKITFLT3IDH2DGAT1
SCHEMBL13963 0.87 KDR (0.38) KDRKITFLT3IDH2DGAT1
SCHEMBL13853 0.86 CXCR4 (0.35) KDRFLT3CXCR4IGF1RNTRK2
SCHEMBL14305 0.86 IDH2 (0.38) KDRKITFLT3IDH2DGAT1
SCHEMBL14850201 0.86 IDH2 (0.38) KDRKITFLT3IDH2DGAT1
SCHEMBL13847 0.86 KDR (0.35) KDRKITFLT3IDH2DGAT1

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.