SCHEMBL9112137

SCHEMBL9112137

Cc1cccc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2C)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.33
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
BRDT Q58F21 1/20 0.32
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GRM5 P41594 1/20 0.31
MAPKAPK2 P49137 3/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31
FFAR1 O14842 1/20 0.30
GABRA1 P14867 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
SCHEMBL9109546 0.92 MAPKAPK2 (0.38) MAPK14RXRAGRIN1GRIN2BBRD4
SCHEMBL9110167 0.91 MAPK14 (0.44) MAPK14
SCHEMBL9109591 0.91 MAPK14 (0.32) MAPK14MAPKAPK2
SCHEMBL9109343 0.91 MAPK14 (0.32) MAPK14RXRAGRIN1GRIN2BBRD4
SCHEMBL9109379 0.87 MAPKAPK2 (0.44) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL9109147 0.86 MAPKAPK2 (0.44) MAPK14RXRAGRIN1GRIN2BBRD4
SCHEMBL9112100 0.86 MAPK14 (0.37) MAPK14
SCHEMBL9905322 0.86 GABRG2 (0.31) RXRAGRIN1GRIN2BGABRG2GABRB3
SCHEMBL9112819 0.85 MAPKAPK2 (0.40) MAPK14BRD4BRD2BRD3BRDT
SCHEMBL9111410 0.85 NMT1 (0.33) MAPK14MAPKAPK2MAPKAPK5

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
US-9365547-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US claimed
US-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS CONFLUENCE LIFE SCIENCES INC. (US) 2014-06-19 US 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-9365547-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US 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 (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-20140171450-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPK14 47/4885RXRA 732/4885GRIN1 2867/4885
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPK14 47/4885RXRA 732/4885GRIN1 2867/4885

“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.