SCHEMBL13873

SCHEMBL13873

CN(C)C(=O)c1cc(-c2cc3cn(-c4ccc(CNCCCN)cc4)c(=O)nc3[nH]2)cc(N2CCNCC2)c1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.32
CDK2 P24941 3/20 0.32
MKNK1 Q9BUB5 3/20 0.32
MKNK2 Q9HBH9 3/20 0.32
AOC3 Q16853 1/20 0.32
USP25 Q9UHP3 6/20 0.32
USP28 Q96RU2 4/20 0.32
TSHR P16473 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
USP2 O75604 1/20 0.32
HSD17B10 Q99714 1/20 0.32
VCP P55072 1/20 0.32
CYP2D6 P10635 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
HASPIN Q8TF76 1/20 0.31
STK17A Q9UEE5 1/20 0.31
IGF1R P08069 1/20 0.30

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
SCHEMBL13823 0.91 USP25 (0.32) AOC3USP25USP28TSHRCLK4
SCHEMBL14573 0.86 RIPK1 (0.33) CDK2
SCHEMBL12061620 0.86 CTNNB1 (0.39) ITGB3ITGA2B
SCHEMBL14421 0.84 VCP (0.38) VCP
SCHEMBL12061492 0.79 KIT (0.33) USP25USP28
SCHEMBL14542 0.78 KLKB1 (0.31)
SCHEMBL20082527 0.78 KIT (0.35) USP25
SCHEMBL14257 0.78 KIT (0.40)
SCHEMBL12061621 0.78 CTNNB1 (0.37) ITGB3ITGA2B
SCHEMBL12061593 0.77 VCP (0.41) VCP

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT CDK1 4733/4885CDK2 4787/4885MKNK1 3400/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CDK1 4733/4885CDK2 4787/4885MKNK1 3400/4885

“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.