SCHEMBL559683

SCHEMBL559683

O=C(COCc1ccccc1)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 8/20 0.51
DYRK1A Q13627 8/20 0.51
GSK3B P49841 7/20 0.51
ROCK2 O75116 5/20 0.48
USP30 Q70CQ3 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
WNT3A P56704 2/20 0.46
NOTUM Q6P988 1/20 0.43
CSNK1D P48730 1/20 0.43
ROCK1 Q13464 1/20 0.43
MYLK4 Q86YV6 1/20 0.43

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
SCHEMBL559024 0.88 DYRK1A (0.65) WNT1DYRK1AGSK3BROCK2USP30
SCHEMBL559380 0.83 NOTUM (0.52) WNT1DYRK1AGSK3BUSP30WNT3A
SCHEMBL558696 0.82 GSK3B (0.55) WNT1DYRK1AGSK3BROCK2USP30
SCHEMBL560081 0.81 WNT3A (0.59) WNT1DYRK1AGSK3BUSP30WNT3A
SCHEMBL558997 0.80 DYRK1A (0.51) WNT1DYRK1AGSK3BROCK2USP30
SCHEMBL558043 0.80 DYRK1A (0.61) WNT1DYRK1AGSK3BUSP30
SCHEMBL15583582 0.79 ROCK2 (0.55) WNT1DYRK1AGSK3BROCK2USP30
SCHEMBL559512 0.79 DYRK1A (0.52) WNT1DYRK1AGSK3BWNT3A
SCHEMBL558791 0.78 GSK3B (0.65) WNT1DYRK1AGSK3BUSP30WNT3A
SCHEMBL559264 0.77 GSK3B (0.56) WNT1DYRK1AGSK3BUSP30WNT3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 WNT1 1140/4885DYRK1A 1064/4885GSK3B 685/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 WNT1 1140/4885DYRK1A 1064/4885GSK3B 685/4885

“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.