SCHEMBL15312059

SCHEMBL15312059

Cc1cncc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3C)c(=O)c2Br)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 9/20 0.59
MAPKAPK2 P49137 3/20 0.59
MAPK14 Q16539 17/20 0.41
MAPK1 P28482 8/20 0.39
ROCK2 O75116 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
STRADA Q7RTN6 1/20 0.35

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
SCHEMBL15312051 0.91 MAPKAPK5 (0.71) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9110359 0.91 MAPKAPK5 (0.59) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL15311940 0.90 MAPKAPK5 (0.48) MAPKAPK5MAPKAPK2MAPK14MAPK1ROCK2
SCHEMBL9110025 0.88 MAPKAPK2 (0.68) MAPKAPK5MAPKAPK2MAPK14MAPK1ROCK2
SCHEMBL15311639 0.87 MAPKAPK5 (0.45) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL9111472 0.87 MAPKAPK5 (0.59) MAPKAPK5MAPKAPK2MAPK14MAPK1ROCK2
SCHEMBL16279619 0.87 MAPKAPK5 (0.76) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL30514457 0.87 MAPKAPK5 (0.76) MAPKAPK5MAPKAPK2MAPK14MAPK1
SCHEMBL15311731 0.86 MAPKAPK5 (0.62) MAPKAPK5MAPKAPK2MAPK14MAPK1ROCK2
SCHEMBL15311655 0.86 MAPKAPK5 (0.43) MAPKAPK5MAPKAPK2MAPK14MAPK1ROCK2

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
US-9359300-B2 Methyl/difluorophenyl-methoxy substituted pyridinone-pyridinyl compounds, methyl-pyridinyl-methoxy substituted pyridinone-pyridinyl compounds, and methyl-pyrimidinyl-methoxy substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2016-06-07 US claimed
US-20130274272-A1 METHYL/DIFLUOROPHENYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, METHYL-PYRIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, AND METHYL-PYRIMIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2013-10-17 US claimed
US-9359300-B2 Methyl/difluorophenyl-methoxy substituted pyridinone-pyridinyl compounds, methyl-pyridinyl-methoxy substituted pyridinone-pyridinyl compounds, and methyl-pyrimidinyl-methoxy substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2016-06-07 US disclosed
US-9359300-B2 Methyl/difluorophenyl-methoxy substituted pyridinone-pyridinyl compounds, methyl-pyridinyl-methoxy substituted pyridinone-pyridinyl compounds, and methyl-pyrimidinyl-methoxy substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2016-06-07 US disclosed
US-9359300-B2 Methyl/difluorophenyl-methoxy substituted pyridinone-pyridinyl compounds, methyl-pyridinyl-methoxy substituted pyridinone-pyridinyl compounds, and methyl-pyrimidinyl-methoxy substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES, INC. (US) 2016-06-07 US disclosed
US-20130274272-A1 METHYL/DIFLUOROPHENYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, METHYL-PYRIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, AND METHYL-PYRIMIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130274272-A1 METHYL/DIFLUOROPHENYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, METHYL-PYRIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, AND METHYL-PYRIMIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2013-10-17 US disclosed
US-20130274272-A1 METHYL/DIFLUOROPHENYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, METHYL-PYRIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, AND METHYL-PYRIMIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS, INC. 2013-10-17 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 (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-20130274272-A1 METHYL/DIFLUOROPHENYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, METHYL-PYRIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS, AND METHYL-PYRIMIDINYL-METHOXY SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAP3K1, MAPK1, PDXK MAPKAPK5 44/4885MAPKAPK2 28/4885MAPK14 46/4885

“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.