SCHEMBL9112699

SCHEMBL9112699

COc1cccc(COc2cc(C)n(-c3ccnc(-c4nc(C(C)C)ncc4C)c3)c(=O)c2C)n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
APLNR P35414 16/20 0.33
MAPK14 Q16539 2/20 0.31
MAPKAPK2 P49137 1/20 0.30
ATR Q13535 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
SCHEMBL9109136 0.93 MAPKAPK2 (0.37) APLNRMAPK14MAPKAPK2
SCHEMBL9108734 0.92 MAPK14 (0.40) MAPK14
SCHEMBL9109343 0.91 MAPK14 (0.32) MAPK14MAPKAPK2
SCHEMBL9109591 0.91 MAPK14 (0.32) APLNRMAPK14MAPKAPK2
SCHEMBL9110807 0.89 MAPKAPK2 (0.37) APLNRMAPK14MAPKAPK2
SCHEMBL9111255 0.89 MAPKAPK2 (0.39) MAPK14MAPKAPK2
SCHEMBL9108547 0.87 MAPKAPK5 (0.41) MAPK14MAPKAPK2
SCHEMBL9111989 0.87 MAPKAPK2 (0.35) APLNRMAPK14MAPKAPK2
SCHEMBL9111368 0.85 PTGER1 (0.37) MAPK14
SCHEMBL9109600 0.84 MAPK14 (0.35) MAPK14MAPKAPK2

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 12 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
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
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 APLNR 3487/4885MAPK14 47/4885MAPKAPK2 33/4885
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 APLNR 3487/4885MAPK14 47/4885MAPKAPK2 33/4885
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 APLNR 3487/4885MAPK14 47/4885MAPKAPK2 33/4885

“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.