SCHEMBL14741191

SCHEMBL14741191

CCc1c(-c2ccc(N(C)C)nc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
APP P05067 2/20 0.34
HCAR3 P49019 2/20 0.34
MAP3K11 Q16584 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM5A P29375 3/20 0.33
AURKA O14965 1/20 0.33
MAP4K4 O95819 1/20 0.33
PAK4 O96013 1/20 0.33
ABL1 P00519 1/20 0.33
FYN P06241 1/20 0.33
RET P07949 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK8 P49336 1/20 0.33
GSK3A P49840 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
SCHEMBL14741253 0.86 KDM4E (0.41) PRKAG1PRKAA1PRKAB1CYP2C9KDM5A
SCHEMBL14740933 0.83 KDM5A (0.32) KDM5A
SCHEMBL14740841 0.82 MAPT (0.36) AURKAMAP4K4PAK4ABL1FYN
SCHEMBL14741155 0.79 GSK3A (0.37) AURKAMAP4K4PAK4ABL1FYN
SCHEMBL14745236 0.78 CNR2 (0.38) CYP2C9ACVR1HDAC6
SCHEMBL14741215 0.78 KDM4E (0.39) AURKAMAP4K4PAK4ABL1FYN
SCHEMBL14741096 0.78 AURKA (0.36) KDM5AAURKAMAP4K4PAK4ABL1
SCHEMBL14741292 0.77 TLR9 (0.33)
SCHEMBL14740973 0.77 SERPINE1 (0.47) CYP2C9MAPTDHODHGAA
SCHEMBL14740980 0.77 PDE3B (0.41) CYP2C9AURKAMAP4K4PAK4ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US claimed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PRKAG1 3736/4885PRKAA1 2503/4885PRKAB1 3844/4885

“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.