SCHEMBL9112295

SCHEMBL9112295

Cc1cccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)C)n4)ncc3Cl)c(=O)c2C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.54
MAPKAPK5 Q8IW41 3/20 0.48
MAPK14 Q16539 5/20 0.37
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
MRGPRX4 Q96LA9 3/20 0.32
PTGER1 P34995 1/20 0.32
PIK3CA P42336 1/20 0.32
DGAT1 O75907 1/20 0.31
NPBWR1 P48145 1/20 0.31
NR1H4 Q96RI1 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
SCHEMBL9112470 0.94 MAPKAPK2 (0.60) MAPKAPK2MAPKAPK5MAPK14MAOAMAOB
SCHEMBL9109522 0.94 MAPKAPK5 (0.56) MAPKAPK2MAPKAPK5MAPK14MAOAMAOB
SCHEMBL9110991 0.92 MAPKAPK2 (0.52) MAPKAPK2MAPKAPK5MAPK14PTGER1
SCHEMBL9112896 0.92 MAPKAPK2 (0.59) MAPKAPK2MAPKAPK5MAPK14MAOAMAOB
SCHEMBL9111376 0.91 MAPKAPK2 (0.52) MAPKAPK2MAPKAPK5MAPK14MAOAMAOB
SCHEMBL9111101 0.90 MAPKAPK2 (0.46) MAPKAPK2MAPKAPK5MAPK14MAOAMAOB
SCHEMBL9111023 0.88 MAPKAPK5 (0.62) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9113090 0.88 MAPKAPK2 (0.69) MAPKAPK2MAPKAPK5MAPK14MAPK1
SCHEMBL9109808 0.88 MAPKAPK2 (0.63) MAPKAPK2MAPKAPK5MAPK14MAPK1PTGER1
SCHEMBL9108650 0.87 MAPKAPK2 (0.54) MAPKAPK2MAPKAPK5MAPK14MAPK1DGAT1

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.