SCHEMBL559364

SCHEMBL559364

COc1ccc(CC(=O)Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.70
WNT3A P56704 3/20 0.57
DYRK1A Q13627 10/20 0.53
GSK3B P49841 9/20 0.53
WNT1 P04628 5/20 0.53
ROCK2 O75116 3/20 0.53
ALDH1A1 P00352 1/20 0.52
MAPK10 P53779 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RIOK2 Q9BVS4 1/20 0.49
KDM4E B2RXH2 1/20 0.47
ROCK1 Q13464 2/20 0.47

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
SCHEMBL559695 0.90 MAPK8 (0.58) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL558470 0.89 MAPK8 (0.56) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL559024 0.88 DYRK1A (0.65) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL10165889 0.87 MAPK8 (0.72) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL560081 0.87 WNT3A (0.59) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL559868 0.85 WNT3A (0.54) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL557622 0.85 MAPK8 (0.70) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL15583582 0.83 ROCK2 (0.55) MAPK8WNT3ADYRK1AGSK3BWNT1
SCHEMBL558605 0.83 MAPK8 (0.52) MAPK8DYRK1AGSK3BWNT1ROCK2
SCHEMBL559231 0.82 MAPK8 (1.00) MAPK8DYRK1AGSK3BWNT1

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
WO-2013169793-A2 METHODS AND COMPOSITIONS FOR TDP-43 PROTEINOPATHIES IPIERIAN, INC. (US) 2013-11-14 WO disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER INC. (US) 2012-02-09 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-7998978-B2 Substituted 2-amino-fused heterocyclic compounds PFIZER INC. (US) 2011-08-16 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2010-03-04 US disclosed
EP-2024342-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS Pfizer Products Incorporated (US) 2009-02-18 EP disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 WO disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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-20120035194-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885WNT3A 1899/4885DYRK1A 1064/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 MAPK8 20/4885WNT3A 1899/4885DYRK1A 1064/4885

“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.