SCHEMBL9109961

SCHEMBL9109961

COc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK14 Q16539 3/20 0.35
MAPKAPK2 P49137 3/20 0.35
MAOB P27338 2/20 0.35
PKM P14618 1/20 0.35
MAOA P21397 1/20 0.35
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2C19 P33261 4/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 2/20 0.35
MAPKAPK5 Q8IW41 2/20 0.35
MAPK1 P28482 2/20 0.34
FYN P06241 1/20 0.33
P2RX7 Q99572 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL9109365 0.95 MAPKAPK2 (0.40) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9111821 0.94 MAPT (0.38) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9109807 0.92 MAPK14 (0.45) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9110968 0.91 MAPK14 (0.37) HTTMAPK14MAPKAPK2MAOBMAOA
SCHEMBL9109731 0.90 MAPKAPK2 (0.39) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9111407 0.90 MAPKAPK2 (0.44) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9110510 0.88 MAPKAPK2 (0.45) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9111368 0.87 PTGER1 (0.37) MAPTHTTSMN1; SMN2MAPK14MAOB
SCHEMBL9110546 0.86 MAPKAPK5 (0.46) MAPTHTTSMN1; SMN2MAPK14MAPKAPK2
SCHEMBL9111989 0.86 MAPKAPK2 (0.35) MAPK14MAPKAPK2MAPKAPK5MAPK1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3469907-B1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS ACLARIS THERAPEUTICS INC (US) 2021-03-03 EP claimed
EP-3469907-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS Aclaris Therapeutics, Inc. (US) 2019-04-17 EP claimed
US-9365546-B2 Substituted pyridinone-pyridinyl compounds CONFLUENCE LIFE SCIENCES INC. (US) 2016-06-14 US claimed
US-20140171449-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-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 MAPT 1717/4885HTT 4247/4885SMN1; SMN2 2479/4885
US-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPT 1717/4885HTT 4247/4885SMN1; SMN2 2479/4885
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPT 1717/4885HTT 4247/4885SMN1; SMN2 2479/4885

“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.