SCHEMBL15565005

SCHEMBL15565005

CC(C)(C)OC(=O)N[C@H]1CSc2c(N)cccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ BRD4 O60885 4/20 0.40
▸ CREBBP Q92793 4/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ MAPK10 P53779 1/20 0.37
▸ NFKB1 P19838 1/20 0.36
▸ NFKB2 Q00653 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ CCKAR P32238 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ CRBN Q96SW2 3/20 0.34
▸ PLG P00747 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ ADRB1 P08588 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
SCHEMBL15565008 1.00 EPHX2 (0.43) EPHX2GAABRD4CREBBPIDO1
SCHEMBL15564579 0.83 XIAP (0.37) EPHX2BRD4CREBBPIDO1CCKAR
SCHEMBL27766819 0.82 EPHX2 (0.46) EPHX2GAABRD4CREBBPIDO1
SCHEMBL3484898 0.82 EPHX2 (0.49) EPHX2GAABRD4CREBBPIDO1
SCHEMBL3484895 0.82 EPHX2 (0.49) EPHX2GAABRD4CREBBPIDO1
SCHEMBL29796990 0.77 GAA (0.41) EPHX2GAAIDO1NFKB1NFKB2
SCHEMBL26962527 0.77 GAA (0.41) EPHX2GAAIDO1NFKB1NFKB2
SCHEMBL29270785 0.76 GAA (0.43) EPHX2GAAIDO1NFKB1NFKB2
SCHEMBL2842186 0.75 EPHX2 (0.46) EPHX2GAABRD4CREBBPNFKB1
SCHEMBL29270789 0.75 GAA (0.43) EPHX2GAABRD4CREBBPIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 — — US disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 — — US disclosed
US-9394263-B2 Substituted hetero-azepinones F. HOFFMANN-LA ROCHE AG (CH) 2016-07-19 — — US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
US-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES HOFFMAN-LA ROCHE INC. (US) 2015-12-17 — — US disclosed
EP-2882725-A1 SUBSTITUTED HETERO-AZEPINONES F. Hoffmann-La Roche AG (CH) 2015-06-17 — — EP disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — WO disclosed
WO-2014023708-A1 SUBSTITUTED HETERO-AZEPINONES F. HOFFMANN-LA ROCHE AG (CH) 2014-02-13 — — 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-20150361059-A1 SUBSTITUTED HETERO-AZEPINONES CCNY, CCNE1, CCND3 EPHX2 2235/4885GAA 2880/4885BRD4 470/4885

“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.

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