SCHEMBL14186

SCHEMBL14186

O=C(Nc1nc(=O)c(-c2ccc(CNCCCc3cccnc3)cc2)c[nH]1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.42
KDR P35968 5/20 0.40
EGFR P00533 3/20 0.40
FGFR1 P11362 3/20 0.40
ATR Q13535 1/20 0.38
HDAC1 Q13547 1/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
HTR5A P47898 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
ADRA1B P35368 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL14850192 0.89 KDR (0.41) NAMPTKDREGFRFGFR1KIT
SCHEMBL14142 0.88 KDR (0.41) NAMPTKDREGFRFGFR1KIT
SCHEMBL13974 0.87 NAMPT (0.47) NAMPTKDREGFRFGFR1HDAC1
SCHEMBL17485861 0.87 KDR (0.39) NAMPTKDREGFRFGFR1KIT
SCHEMBL17485881 0.87 KIT (0.40) NAMPTKDRKITFLT3IDH2
SCHEMBL13749 0.87 KDR (0.42) NAMPTKDREGFRFGFR1ATR
SCHEMBL17354210 0.86 HDAC1 (0.40) NAMPTKDRHDAC1KITNOS1
SCHEMBL14096 0.86 IDH2 (0.41) NAMPTKDRKITFLT3IDH2
SCHEMBL13862 0.86 NAMPT (0.48) NAMPTKDREGFRFGFR1ATR
SCHEMBL14850215 0.85 KIT (0.41) NAMPTKDRHDAC1KITFLT3

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 NAMPT 247/4885KDR 4838/4885EGFR 4722/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT NAMPT 247/4885KDR 4838/4885EGFR 4722/4885

“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.