SCHEMBL13928

SCHEMBL13928

CN1CCC(N2CCN(c3ccc(NC(=O)Nc4nc(=O)c(-c5ccc(CN(CCCN)CCCN)cc5)c[nH]4)cc3)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 8/20 0.38
MTOR P42345 7/20 0.38
BDKRB1 P46663 4/20 0.36
LCK P06239 2/20 0.36
HCK P08631 2/20 0.36
SRC P12931 1/20 0.36
PIK3CG P48736 1/20 0.36
ALK Q9UM73 1/20 0.36
CSF1R P07333 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL17485859 0.97 PIK3CA (0.38) PIK3CAMTORBDKRB1LCKHCK
SCHEMBL14850175 0.93 JAK3 (0.41) PIK3CAMTORLCKHCKSRC
SCHEMBL14850182 0.86 HTR1A (0.37) PIK3CAMTORLCKHCKSRC
SCHEMBL13832 0.84 ROCK1 (0.35) PIK3CAMTOR
SCHEMBL17354158 0.83 ROCK1 (0.34) PIK3CAMTOR
SCHEMBL14198 0.80 CNR1 (0.38) CSF1R
SCHEMBL14850173 0.77 KDR (0.41) MTORLCKSRCCSF1R
SCHEMBL13842 0.77 KDR (0.39) LCKSRCCSF1R
SCHEMBL17354193 0.76 KDR (0.42) LCKSRCCSF1R
SCHEMBL17354208 0.74 KDR (0.39) LCKALKCSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 PIK3CA 3837/4885MTOR 3122/4885BDKRB1 3258/4885

“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.