SCHEMBL9109727

SCHEMBL9109727

Cc1nc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3Cl)c(=O)c2C)cs1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 15/20 0.55
MAPKAPK2 P49137 3/20 0.55
NMT1 P30419 1/20 0.35
MAPK14 Q16539 14/20 0.35
MAPK1 P28482 13/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 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
SCHEMBL9109083 0.94 MAPKAPK5 (0.61) MAPKAPK5MAPKAPK2NMT1MAPK14MAPK1
SCHEMBL9109604 0.94 MAPKAPK2 (0.53) MAPKAPK5MAPKAPK2NMT1MAPK14MAPK1
SCHEMBL9110161 0.92 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2NMT1MAPK14MAPK1
SCHEMBL9110981 0.92 MAPKAPK5 (0.60) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9112252 0.89 MAPKAPK5 (0.46) MAPKAPK5MAPKAPK2MAPK14MAPK1HTR2A
SCHEMBL9109972 0.88 MAPKAPK5 (0.56) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9111195 0.88 MAPKAPK5 (0.70) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9109896 0.88 MAPKAPK2 (0.60) MAPKAPK5MAPKAPK2NMT1MAPK14MAPK1
SCHEMBL9111476 0.87 MAPKAPK5 (0.56) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110848 0.86 MAPKAPK2 (0.45) MAPKAPK5MAPKAPK2NMT1MAPK14HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2648516-B1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS INC (US) 2018-09-05 EP claimed
US-9365547-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US claimed
US-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US claimed
EP-2648516-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Confluence Life Sciences, Inc. (US) 2013-10-16 EP claimed
WO-2012078684-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES, INC. (US) 2012-06-14 WO 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-9365547-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US disclosed
US-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US disclosed
US-20140171449-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 MAPKAPK5 35/4885MAPKAPK2 33/4885NMT1 4164/4885
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPKAPK5 35/4885MAPKAPK2 33/4885NMT1 4164/4885
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPKAPK5 35/4885MAPKAPK2 33/4885NMT1 4164/4885

“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.