SCHEMBL13764

SCHEMBL13764

NCCCN(CCCN)Cc1ccc(-n2cc3cc(-c4ccc(C(=O)O)cc4)[nH]c3nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHUK O15111 2/20 0.37
INSR P06213 2/20 0.37
MAPK8 P45983 2/20 0.37
CAMKK2 Q96RR4 2/20 0.37
EGFR P00533 2/20 0.37
CSF1R P07333 2/20 0.37
MPL P40238 2/20 0.34
MEP1B Q16820 1/20 0.33
JAK2 O60674 2/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
RIPK1 Q13546 1/20 0.32
OPRD1 P41143 1/20 0.31
P2RY14 Q15391 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL12075844 0.93 CHUK (0.45) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL12061490 0.90 RIPK1 (0.39) CHUKINSRMAPK8CAMKK2EGFR
SCHEMBL14296 0.88 KIT (0.35) EGFRCSF1R
SCHEMBL13865 0.85 RIPK1 (0.40) CHUKINSRMAPK8CAMKK2JAK2
SCHEMBL13982 0.85 RIPK1 (0.42) CHUKINSRMAPK8CAMKK2RIPK1
SCHEMBL14364 0.84 RIPK1 (0.40) CSF1RRIPK1
SCHEMBL14320 0.84 RIPK1 (0.42) CHUKINSRMAPK8CAMKK2RIPK1
SCHEMBL12061506 0.84 RIPK1 (0.39) JAK2RIPK1
SCHEMBL12061503 0.82 MEN1 (0.38) CHUKINSRMAPK8CAMKK2RIPK1
SCHEMBL12061498 0.82 CHRNA7 (0.38)

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 CHUK 2953/4885INSR 4144/4885MAPK8 4287/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CHUK 2953/4885INSR 4144/4885MAPK8 4287/4885

“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.