SCHEMBL9109271

SCHEMBL9109271

COc1cccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3Cl)c(=O)c2C)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 16/20 0.54
MAPKAPK2 P49137 3/20 0.54
MAPK14 Q16539 15/20 0.34
MAPK1 P28482 14/20 0.34
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.30

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
SCHEMBL9110408 0.95 MAPKAPK5 (0.60) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9108075 0.94 MAPKAPK2 (0.52) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110979 0.93 MAPKAPK5 (0.52) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110563 0.92 MAPKAPK5 (0.59) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9111476 0.92 MAPKAPK5 (0.56) MAPKAPK5MAPKAPK2MAPK14MAPK1KCNJ5
SCHEMBL9112227 0.90 MAPKAPK5 (0.46) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9109994 0.89 MAPKAPK5 (0.68) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9111025 0.88 MAPKAPK2 (0.58) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9111137 0.87 MAPKAPK2 (0.44) MAPKAPK5MAPKAPK2MAPK14
SCHEMBL9109756 0.86 MAPKAPK5 (0.54) MAPKAPK5MAPKAPK2MAPK14MAPK1MRGPRX4

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 9 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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MAPKAPK5 35/4885MAPKAPK2 33/4885MAPK14 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.