SCHEMBL9108634

SCHEMBL9108634

COc1cccc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Br)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.46
PTGER1 P34995 1/20 0.41
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PKM P14618 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL9111005 0.92 SMN1; SMN2 (0.39) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9109174 0.91 MAPK14 (0.44) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9112409 0.91 PTGER1 (0.38) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9110271 0.91 MAPK14 (0.48) MAPK14MAOAMAOB
SCHEMBL9111810 0.88 MAPKAPK2 (0.42) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9112027 0.87 MAPK14 (0.46) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9110765 0.87 MAPK14 (0.46) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9902349 0.86 MAOB (0.36) PTGER1MAPTHTTSMN1; SMN2PKM
SCHEMBL9108095 0.85 MAPK14 (0.45) MAPK14PTGER1MAPTHTTSMN1; SMN2
SCHEMBL9109389 0.85 MAPK14 (0.42) MAPK14

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 13 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-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-20120142709-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPK14 47/4885PTGER1 236/4885MAPT 1717/4885
US-20140171449-A1 SUBSTITUTED PYRIDINONE-PYRIDINYL COMPOUNDS MAPK1, MAP3K1, MAP3K6 MAPK14 47/4885PTGER1 236/4885MAPT 1717/4885

“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.