SCHEMBL9108784

SCHEMBL9108784

Cc1c(OCc2ccn(C)n2)cc(C)n(-c2ccnc(-c3ccnc(C(C)(C)C)n3)c2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 3/20 0.43
MAPKAPK5 Q8IW41 1/20 0.38
MAPK14 Q16539 2/20 0.33
JMJD6 Q6NYC1 6/20 0.32
GRM2 Q14416 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
BRD4 O60885 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
SCHEMBL9110461 0.93 MAPKAPK2 (0.45) MAPKAPK2MAPKAPK5MAPK14JMJD6GRM2
SCHEMBL9110572 0.92 MAPKAPK2 (0.52) MAPKAPK2MAPKAPK5MAPK14JMJD6GRM2
SCHEMBL9109925 0.91 MAPK14 (0.43) MAPKAPK2MAPKAPK5MAPK14
SCHEMBL9109001 0.91 MAPKAPK2 (0.40) MAPKAPK2MAPKAPK5MAPK14JMJD6GRM2
SCHEMBL9108827 0.87 MAPKAPK2 (0.58) MAPKAPK2MAPKAPK5MAPK14GRM2
SCHEMBL9110388 0.86 JMJD6 (0.34) MAPKAPK2MAPKAPK5MAPK14JMJD6GRM2
SCHEMBL9109868 0.86 MAPKAPK2 (0.53) MAPKAPK2MAPKAPK5MAPK14GRM2HDAC1
SCHEMBL9109893 0.85 MAPKAPK5 (0.54) MAPKAPK2MAPKAPK5MAPK14JMJD6HDAC1
SCHEMBL9112448 0.85 MAPKAPK5 (0.42) MAPKAPK2MAPKAPK5MAPK14JMJD6GRM2
SCHEMBL9109147 0.85 MAPKAPK2 (0.44) MAPKAPK2MAPKAPK5MAPK14BRD4

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
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
US-9365546-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 MAPKAPK2 33/4885MAPKAPK5 35/4885MAPK14 47/4885
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.