SCHEMBL13999

SCHEMBL13999

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)nc2=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.43
RET P07949 10/20 0.43
RIPK1 Q13546 2/20 0.41
FLT3 P36888 4/20 0.40
KIT P10721 3/20 0.40
CSF1R P07333 2/20 0.40
FLT1 P17948 2/20 0.40
FLT4 P35916 2/20 0.40
ABL1 P00519 1/20 0.40
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
SRC P12931 1/20 0.40
BLK P51451 1/20 0.40
CDK8 P49336 2/20 0.39
FGFR1 P11362 1/20 0.39
FRK P42685 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2D Q13557 1/20 0.39
NTRK3 Q16288 1/20 0.39
HIPK4 Q8NE63 1/20 0.39

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
SCHEMBL14155 0.93 RET (0.43) KDRRETCDK8
SCHEMBL13623 0.93 KDR (0.43) KDRRETRIPK1FLT3
SCHEMBL17354191 0.89 KDR (0.40) KDRRETFLT3KITCSF1R
SCHEMBL17354141 0.87 KDR (0.36) KDRRETRIPK1FLT3KIT
SCHEMBL14161 0.87 CNR1 (0.35) KDRRETFLT3KITCSF1R
SCHEMBL14158 0.86 RIPK1 (0.40) KDRRETRIPK1FLT3KIT
SCHEMBL14169 0.86 EPHX2 (0.40) KDRRETFLT3KITCSF1R
SCHEMBL14092 0.86 KDR (0.39) KDRRETRIPK1KITLYN
SCHEMBL13710 0.86 MEN1 (0.42) KDRRET
SCHEMBL17354137 0.85 KDR (0.40) KDRRETFLT3KITCSF1R

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 4838/4885RET 4806/4885RIPK1 2895/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KDR 4838/4885RET 4806/4885RIPK1 2895/4885

“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.