SCHEMBL5260294

SCHEMBL5260294

COc1ccc2nccc(NC(=O)[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
BRAF P15056 1/20 0.36
EIF2AK4 Q9P2K8 1/20 0.34
MAP4K4 O95819 2/20 0.33
SLC2A1 P11166 2/20 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
SCHEMBL5636175 1.00 KCNH2 (0.48) KCNH2BRAFEIF2AK4MAP4K4SLC2A1
SCHEMBL3577402 0.91 KCNH2 (0.47) KCNH2BRAFMAP4K4SLC2A1
SCHEMBL5636821 0.87 KCNH2 (0.57) KCNH2BRAFMAP4K4SLC2A1
SCHEMBL3577434 0.86 PLAU (0.44) KCNH2BRAF
SCHEMBL3577439 0.86 PLAU (0.44) KCNH2BRAF
SCHEMBL5530317 0.80 KCNH2 (0.47) KCNH2
SCHEMBL4772967 0.78 KCNH2 (0.48) KCNH2MAP4K4
SCHEMBL4510826 0.78 KCNH2 (0.42) KCNH2MAP4K4
SCHEMBL633007 0.77 KCNH2 (0.50) KCNH2MAP4K4
SCHEMBL3886623 0.77 KCNH2 (0.50) KCNH2SLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 KCNH2 3311/4885BRAF 3008/4885EIF2AK4 1091/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KCNH2 2699/4885BRAF 2274/4885EIF2AK4 1178/4885

“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.