SCHEMBL18529059

SCHEMBL18529059

COc1ccc2ncc(=O)n(CCN3CC[C@@H](CNC(=O)O)C3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 10/20 0.55
SLC2A1 P11166 1/20 0.41
AVPR1B P47901 2/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL20679525 1.00 KCNH2 (0.55) KCNH2SLC2A1AVPR1BADORA2A
SCHEMBL4305547 0.95 KCNH2 (0.52) KCNH2AVPR1B
SCHEMBL4303013 0.90 KCNH2 (0.48) KCNH2SLC2A1AVPR1B
SCHEMBL18544235 0.89 KCNH2 (0.50) KCNH2
SCHEMBL4298780 0.89 KCNH2 (0.55) KCNH2
SCHEMBL18544260 0.86 KCNH2 (0.56) KCNH2
SCHEMBL18544255 0.85 KCNH2 (0.56) KCNH2
SCHEMBL18544187 0.85 KCNH2 (0.56) KCNH2ADORA2A
SCHEMBL18544186 0.85 KCNH2 (0.56) KCNH2ADORA2A
SCHEMBL4303090 0.85 KCNH2 (0.52) KCNH2ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683307-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-06-16 US disclosed
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-09-05 US disclosed
US-10364254-B2 Compounds for use in antibacterial applications GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 US disclosed
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-31 US disclosed
EP-3334739-A2 ANTIBACTERIAL AGENTS COMPRISING A PYRAZINO[2,3-B][1,4]OXAZIN-3-ONE OR A RELATED RING SYSTEM GlaxoSmithKline Intellectual Property Development Limited (GB) 2018-06-20 EP disclosed
WO-2017029602-A2 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-02-23 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 (4 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-10683307-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC KCNH2 2823/4885SLC2A1 2521/4885AVPR1B 3366/4885
US-20190270755-A1 COMPOUNDS FOR USE IN ANTIBACTERIAL APPLICATIONS MRPL21, CFTR, NRDC KCNH2 2823/4885SLC2A1 2521/4885AVPR1B 3366/4885
US-20190031680-A1 COMPOUNDS FOR US IN ANTIBACTERIAL APPLICATIONS CFTR, MRPL21, CLPP KCNH2 2998/4885SLC2A1 3134/4885AVPR1B 4110/4885
US-10364254-B2 Compounds for use in antibacterial applications MRPL21, CFTR, NRDC KCNH2 2823/4885SLC2A1 2521/4885AVPR1B 3366/4885

“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.