SCHEMBL13758

SCHEMBL13758

CN1CCN(c2ccc(NC(=O)Nc3ccn(-c4ccc(CN(CCCN)CCCNC(=N)N)cc4)c(=O)n3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.36
CHEK1 O14757 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
JAK3 P52333 1/20 0.34
EP300 Q09472 2/20 0.34
EGFR P00533 1/20 0.34
MTOR P42345 3/20 0.33
PIK3CA P42336 2/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
AURKB Q96GD4 1/20 0.33
LCK P06239 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL13922 0.85 ATM (0.33) CHEK1
SCHEMBL13753 0.76 JAK3 (0.35) NPC1RAB9AJAK3EGFRMTOR
SCHEMBL14199 0.76 ABL1 (0.32)
SCHEMBL14850175 0.72 JAK3 (0.41) JAK3EGFRMTORPIK3CAAURKA
SCHEMBL13676 0.71 MAPT (0.34) MTORPIK3CARXFP1
SCHEMBL14850185 0.70 MAPT (0.34) MTORPIK3CARXFP1
SCHEMBL13665 0.70 CNR1 (0.35) NPC1RAB9AMTORPIK3CAFLT3
SCHEMBL12061518 0.69
SCHEMBL17354208 0.67 KDR (0.39) NPC1AURKAAURKBLCKKDR
SCHEMBL17485859 0.66 PIK3CA (0.38) JAK3EGFRMTORPIK3CALCK

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 KCNH2 3637/4885CHEK1 4336/4885NPC1 985/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT KCNH2 3637/4885CHEK1 4336/4885NPC1 985/4885

“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.