SCHEMBL14184

SCHEMBL14184

NCCCN(CCCN)Cc1ccc(-c2c[nH]c(Nc3nc4ccccc4o3)nc2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.40
RET P07949 5/20 0.40
PIM1 P11309 5/20 0.40
FLT3 P36888 5/20 0.40
MAP4K2 Q12851 5/20 0.40
ROCK1 Q13464 5/20 0.40
AURKB Q96GD4 5/20 0.40
CLK4 Q9HAZ1 5/20 0.40
PLK4 O00444 4/20 0.40
ROCK2 O75116 4/20 0.40
PRKCG P05129 4/20 0.40
RPS6KB1 P23443 4/20 0.40
NEK4 P51957 4/20 0.40
PRKCD Q05655 4/20 0.40
CAMK2B Q13554 4/20 0.40
PKN2 Q16513 4/20 0.40
IRAK4 Q9NWZ3 4/20 0.40
PRKD3 O94806 4/20 0.40
LCK P06239 4/20 0.40
RPS6KA3 P51812 4/20 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
SCHEMBL13711 0.91 PLK4 (0.32) MAP4K4RETPIM1FLT3MAP4K2
SCHEMBL17354222 0.90 MAPT (0.39) MAP4K4RETPIM1FLT3MAP4K2
SCHEMBL14850224 0.88 RET (0.32) MAP4K4RETPIM1FLT3MAP4K2
SCHEMBL17354233 0.88 S1PR1 (0.33) MAP4K4RETPIM1FLT3MAP4K2
SCHEMBL14850228 0.86 MAPT (0.42) NPC1SMN1; SMN2GAAKDM4ERAB9A
SCHEMBL14850256 0.86 MAP4K4 (0.41) MAP4K4RETPIM1FLT3MAP4K2
SCHEMBL14853447 0.83 BDKRB1 (0.41) MAP4K4PIM1FLT3MAP4K2ROCK1
SCHEMBL14029 0.83 DYRK3 (0.31) MAP4K4RETFLT3ROCK1AURKB
SCHEMBL17354220 0.83 DYRK3 (0.35) MAP4K4RETFLT3ROCK1AURKB
SCHEMBL14141 0.82 RAB9A (0.35) PIM1ROCK1CDK2PIM3SLK

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 MAP4K4 3931/4885RET 4806/4885PIM1 1749/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MAP4K4 3931/4885RET 4806/4885PIM1 1749/4885

“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.