SCHEMBL4760799

SCHEMBL4760799

CC(C)(C)OC(=O)N[C@@H]1CON(CC2CCOCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
DRD2 P14416 4/20 0.39
NAAA Q02083 1/20 0.38
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CTSK P43235 2/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BTK Q06187 1/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34
SCN9A Q15858 1/20 0.34
DRD3 P35462 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
SCHEMBL2010969 0.81 GAA (0.51) GAADRD2NFKB1NFKB2RELA
SCHEMBL2010967 0.81 GAA (0.51) GAADRD2NFKB1NFKB2RELA
SCHEMBL4760868 0.80 GAA (0.45) GAADRD2NAAANFKB1NFKB2
SCHEMBL4760719 0.80 GAA (0.50) GAANFKB1NFKB2RELACTSK
SCHEMBL2011317 0.79 GAA (0.49) GAADRD2NFKB1NFKB2RELA
SCHEMBL2011320 0.79 GAA (0.49) GAADRD2NFKB1NFKB2RELA
SCHEMBL14844368 0.78 GAA (0.48) GAANFKB1NFKB2RELACTSK
SCHEMBL14845201 0.78 GAA (0.48) GAANFKB1NFKB2RELACTSK
SCHEMBL4760825 0.78 GAA (0.45) GAADRD2NFKB1NFKB2RELA
SCHEMBL12274513 0.77 GAA (0.47) GAANFKB1NFKB2RELACTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079727-B1 KINASE INHIBITOR COMPOUNDS XCOVERY INC (US) 2016-02-17 EP disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-8524709-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2013-09-03 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2012-05-10 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-8039470-B2 Kinase inhibitor compounds TYROGENEX, INC. (US) 2011-10-18 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS TYROGENEX, INC. (US) 2011-09-15 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-20100261665-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2010-10-14 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-7683057-B2 5-[5-fluoro-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (1-acetyl-piperidin-4-yl)-amide; inhibition of 5' AMP-activated protein kinase (AMPK) TYROGENEX, INC. (US) 2010-03-23 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 US disclosed
US-20090076005-A1 Kinase inhibitor compounds XCOVERY, INC. (US) 2009-03-19 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 (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-20090076005-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GAA 694/4885DRD2 4780/4885NAAA 2892/4885
US-20120115866-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GAA 694/4885DRD2 4780/4885NAAA 2892/4885
US-20100261665-A1 Kinase inhibitor compounds MAP3K1, MAP3K20, MAP3K2 GAA 694/4885DRD2 4780/4885NAAA 2892/4885
US-20110224212-A1 KINASE INHIBITOR COMPOUNDS MAP3K1, MAP3K20, MAP3K2 GAA 694/4885DRD2 4780/4885NAAA 2892/4885

“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.