SCHEMBL9112232

SCHEMBL9112232

Cc1cccc(COc2cc(C)n(-c3ccnc(-c4nc(C(C)(C)C)ncc4C)c3)c(=O)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.41
MAPKAPK5 Q8IW41 1/20 0.36
MAPK14 Q16539 5/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
MRGPRX4 Q96LA9 5/20 0.34
FFAR4 Q5NUL3 1/20 0.32
SGMS2 Q8NHU3 1/20 0.32
NR1H4 Q96RI1 1/20 0.31
ARHGEF12 Q9NZN5 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGER1 P34995 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
SCHEMBL9110523 0.94 MAPKAPK5 (0.42) MAPKAPK2MAPKAPK5MAPK14MAOBMAOA
SCHEMBL9110311 0.92 MAPKAPK2 (0.49) MAPKAPK2MAPKAPK5MAPK14MAOBMAOA
SCHEMBL9109282 0.92 MAPK14 (0.46) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9112309 0.91 MAPKAPK2 (0.39) MAPKAPK2MAPKAPK5MAPK14MAOBMAOA
SCHEMBL9108550 0.91 MAPKAPK2 (0.44) MAPKAPK2MAPKAPK5MAPK14MAOBMAOA
SCHEMBL9109600 0.88 MAPK14 (0.35) MAPKAPK2MAPKAPK5MAPK14MAOBMAOA
SCHEMBL9113142 0.88 MAPKAPK2 (0.49) MAPKAPK2MAPKAPK5MAPK14MAOBMAOA
SCHEMBL9111307 0.87 MAPK14 (0.50) MAPKAPK2MAPKAPK5MAPK14PTGER1
SCHEMBL9112208 0.87 MAPKAPK5 (0.50) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9110365 0.86 MAPKAPK2 (0.41) MAPKAPK2MAPKAPK5MAPK14

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
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

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-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.