SCHEMBL13802

SCHEMBL13802

NCCCNCc1ccc(-c2c[nH]c(Nc3nc4ccccc4[nH]3)nc2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.46
MC1R Q01726 1/20 0.39
LMNA P02545 2/20 0.37
PLK4 O00444 1/20 0.36
AURKA O14965 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
AXL P30530 1/20 0.36
FLT4 P35916 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1D P48730 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
NEK4 P51957 1/20 0.36
CSNK1G2 P78368 1/20 0.36
ITK Q08881 1/20 0.36
MAP4K2 Q12851 1/20 0.36

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
SCHEMBL13834 0.90 BDKRB1 (0.35) BDKRB1MC1RGRK5ACHE
SCHEMBL13704 0.87 ROCK1 (0.41) MC1RPLK4AURKAROCK2MAP4K4
SCHEMBL14853447 0.85 BDKRB1 (0.41) BDKRB1LMNAPLK4AURKAROCK2
SCHEMBL13793 0.85 MC4R (0.39) MC1RLMNAGRK5MEN1KMT2A
SCHEMBL13732 0.84 BDKRB1 (0.41) BDKRB1LMNAGSK3BROCK1RAB9A
SCHEMBL14850256 0.83 MAP4K4 (0.41) BDKRB1MC1RLMNAPLK4ROCK2
SCHEMBL14850253 0.83 SMN1; SMN2 (0.43) BDKRB1LMNAMAPTGAA
SCHEMBL17354359 0.80 KDM1A (0.36) BDKRB1MC1RACHE
SCHEMBL13833 0.80 PARP1 (0.35) PRKAA1GRK5
SCHEMBL14850242 0.79 ALOX5AP (0.37) FLT3DYRK1AMAPTTP53

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 BDKRB1 3258/4885MC1R 3425/4885LMNA 2222/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT BDKRB1 3258/4885MC1R 3425/4885LMNA 2222/4885

“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.