SCHEMBL13862

SCHEMBL13862

O=C(Nc1nc(=O)c(-c2ccc(CNCc3ccncc3)cc2)c[nH]1)Nc1ccccc1OC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.48
IDH2 P48735 1/20 0.41
KDR P35968 6/20 0.40
EGFR P00533 6/20 0.40
FGFR1 P11362 6/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TRPV1 Q8NER1 2/20 0.39
ABL1 P00519 1/20 0.37
IMPDH2 P12268 1/20 0.37
ATR Q13535 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13974 0.94 NAMPT (0.47) NAMPTIDH2KDREGFRFGFR1
SCHEMBL14850200 0.90 IDH2 (0.39) NAMPTIDH2KDREGFRFGFR1
SCHEMBL14850192 0.89 KDR (0.41) NAMPTIDH2KDREGFRFGFR1
SCHEMBL14006 0.88 IDH2 (0.40) NAMPTIDH2KDREGFRFGFR1
SCHEMBL13532 0.88 IDH2 (0.42) NAMPTIDH2KDRKITFLT3
SCHEMBL14142 0.88 KDR (0.41) NAMPTIDH2KDREGFRFGFR1
SCHEMBL14850195 0.88 KDR (0.39) NAMPTIDH2KDREGFRFGFR1
SCHEMBL13749 0.88 KDR (0.42) NAMPTIDH2KDREGFRFGFR1
SCHEMBL14850193 0.88 IDH2 (0.40) NAMPTIDH2KDREGFRFGFR1
SCHEMBL17485881 0.88 KIT (0.40) NAMPTIDH2KDRKITFLT3

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 247/4885IDH2 3459/4885KDR 4838/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT NAMPT 247/4885IDH2 3459/4885KDR 4838/4885

“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.