SCHEMBL552832

SCHEMBL552832

COCCNCc1cncc(B2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
HTT P42858 1/20 0.35
LPL P06858 3/20 0.33
LIPG Q9Y5X9 3/20 0.33
BRAF P15056 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
DGAT1 O75907 1/20 0.33
HTR1A P08908 1/20 0.32
F11 P03951 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
P4HTM Q9NXG6 1/20 0.31
RET P07949 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
CA2 P00918 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 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
SCHEMBL552083 0.93 SCN8A (0.37) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL553104 0.82 LPL (0.43) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL552872 0.81 ESR2 (0.34) LPLLIPGGSK3AGSK3BF11
SCHEMBL3798379 0.79 LPL (0.38) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL17847042 0.79 F11 (0.40) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL552720 0.79 FFAR1 (0.37) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL552526 0.79 AAK1 (0.35) LPLLIPGGSK3AGSK3BF11
SCHEMBL552417 0.78 LPL (0.34) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL552139 0.77 GSK3A (0.35) LPLLIPGGSK3AGSK3BDGAT1
SCHEMBL552697 0.76 KCNH2 (0.38) LPLLIPGGSK3AGSK3BDGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA L3MBTL1 3858/4885HTT 3004/4885LPL 4845/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA L3MBTL1 3858/4885HTT 3004/4885LPL 4845/4885

“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.