SCHEMBL9110311

SCHEMBL9110311

Cc1cccc(COc2cc(C)n(-c3ccnc(-c4nc(C(C)(C)C)ncc4C)c3)c(=O)c2Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.49
MAPKAPK5 Q8IW41 13/20 0.43
MAPK14 Q16539 16/20 0.36
MAPK1 P28482 12/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL9112208 0.94 MAPKAPK5 (0.50) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9112232 0.92 MAPKAPK2 (0.41) MAPKAPK2MAPKAPK5MAPK14MAOAMAOB
SCHEMBL9108814 0.91 MAPKAPK2 (0.47) MAPKAPK2MAPKAPK5MAPK14MAPK1MAOA
SCHEMBL9109282 0.91 MAPK14 (0.46) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9109760 0.91 MAPKAPK2 (0.53) MAPKAPK2MAPKAPK5MAPK14MAPK1MAOA
SCHEMBL9110474 0.88 MAPKAPK2 (0.39) MAPKAPK2MAPKAPK5MAPK14MAPK1MAOA
SCHEMBL9111159 0.88 MAPKAPK2 (0.58) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9112012 0.87 MAPKAPK2 (0.57) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9110523 0.87 MAPKAPK5 (0.42) MAPKAPK2MAPKAPK5MAPK14MAPK1MAOA
SCHEMBL9111249 0.87 MAPKAPK2 (0.53) MAPKAPK2MAPKAPK5MAPK14MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3469907-B1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS INC (US) 2021-03-03 EP claimed
EP-3469907-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Aclaris Therapeutics, Inc. (US) 2019-04-17 EP claimed
US-9365546-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US claimed
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US claimed
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 US claimed
EP-3469907-B1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS INC (US) 2021-03-03 EP disclosed
EP-3469907-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Aclaris Therapeutics, Inc. (US) 2019-04-17 EP disclosed
EP-2648516-B1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS INC (US) 2018-09-05 EP disclosed
US-9365546-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US disclosed
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US disclosed
US-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US disclosed
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP disclosed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO disclosed
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2012-06-07 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 (3 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-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPKAPK2 33/4885MAPKAPK5 35/4885MAPK14 47/4885
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPKAPK2 33/4885MAPKAPK5 35/4885MAPK14 47/4885
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPKAPK2 33/4885MAPKAPK5 35/4885MAPK14 47/4885

“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.