SCHEMBL14176

SCHEMBL14176

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(Nc3nc4ccccc4[nH]3)nc2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.40
PLK4 O00444 1/20 0.40
AURKA O14965 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PIM1 P11309 1/20 0.40
AXL P30530 1/20 0.40
FLT4 P35916 1/20 0.40
FLT3 P36888 1/20 0.40
CSNK1D P48730 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
NEK4 P51957 1/20 0.40
CSNK1G2 P78368 1/20 0.40
ITK Q08881 1/20 0.40
MAP4K2 Q12851 1/20 0.40
PRKAA1 Q13131 1/20 0.40
STK3 Q13188 1/20 0.40

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
SCHEMBL17485865 0.93 TSHR (0.38) ROCK1PLK4AURKAROCK2MAP4K4
SCHEMBL14126 0.91 TSHR (0.36) ROCK1PLK4AURKAROCK2MAP4K4
SCHEMBL13897 0.87 HDAC11 (0.34) CSNK1DGSK3BCSNK1G2
SCHEMBL14853447 0.87 BDKRB1 (0.41) ROCK1PLK4AURKAROCK2MAP4K4
SCHEMBL13704 0.84 ROCK1 (0.41) ROCK1PLK4AURKAROCK2MAP4K4
SCHEMBL14850174 0.78 PDGFRB (0.30)
SCHEMBL14079 0.77 PARP1 (0.35) ROCK1ROCK2DYRK1APARP1HDAC1
SCHEMBL14853493 0.77 HDAC11 (0.33)
SCHEMBL13793 0.76 MC4R (0.39) MEN1KMT2AGAARAB9ASMN1; SMN2
SCHEMBL13636 0.75 MAPT (0.35) AURKBPARP1

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 ROCK1 2911/4885PLK4 4009/4885AURKA 4711/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ROCK1 2911/4885PLK4 4009/4885AURKA 4711/4885

“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.