SCHEMBL9112192

SCHEMBL9112192

Cc1cccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3C)c(=O)c2Br)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.43
MAPKAPK2 P49137 3/20 0.43
MAPKAPK5 Q8IW41 2/20 0.42
MAPK1 P28482 1/20 0.35
PTGER1 P34995 1/20 0.35
ROCK2 O75116 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
STRADA Q7RTN6 1/20 0.34

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
SCHEMBL9110957 0.92 MAPK14 (0.48) MAPK14MAPKAPK2MAPKAPK5PTGER1
SCHEMBL9110549 0.92 MAPKAPK2 (0.44) MAPK14MAPKAPK2MAPKAPK5MAPK1PTGER1
SCHEMBL9111810 0.91 MAPKAPK2 (0.42) MAPK14MAPKAPK2MAPKAPK5MAPK1PTGER1
SCHEMBL9110834 0.91 MAPK14 (0.44) MAPK14MAPKAPK2MAPKAPK5MAPK1PTGER1
SCHEMBL9111751 0.91 MAPKAPK2 (0.53) MAPK14MAPKAPK2MAPKAPK5MAPK1
SCHEMBL9110416 0.88 MAPK14 (0.55) MAPK14MAPKAPK2MAPKAPK5ROCK2MAPK12
SCHEMBL9110271 0.87 MAPK14 (0.48) MAPK14
SCHEMBL9112057 0.87 MAPKAPK2 (0.43) MAPK14MAPKAPK2MAPKAPK5MAPK1ROCK2
SCHEMBL9109435 0.87 MAPKAPK2 (0.58) MAPK14MAPKAPK2MAPKAPK5MAPK1PTGER1
SCHEMBL9111092 0.86 MAPKAPK2 (0.42) MAPK14MAPKAPK2MAPKAPK5MAPK1ROCK2

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 MAPK14 47/4885MAPKAPK2 33/4885MAPKAPK5 35/4885
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPK14 47/4885MAPKAPK2 33/4885MAPKAPK5 35/4885

“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.