SCHEMBL559016

SCHEMBL559016

CC(C)(C)OC(=O)n1cc(-c2ccc3cnc(N)cc3c2)cn1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.53
DYRK1A Q13627 15/20 0.53
ROCK2 O75116 1/20 0.48
WNT1 P04628 10/20 0.48
TTK P33981 4/20 0.42

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
SCHEMBL29640785 0.83 ROCK2 (0.54) GSK3BDYRK1AROCK2
SCHEMBL14771857 0.83 ROCK2 (0.54) GSK3BDYRK1AROCK2
SCHEMBL15742917 0.79 ROCK2 (0.60) GSK3BDYRK1AROCK2WNT1TTK
SCHEMBL30512133 0.79 ROCK2 (0.45) GSK3BDYRK1AROCK2WNT1TTK
SCHEMBL25881605 0.79 ROCK2 (0.45) GSK3BDYRK1AROCK2WNT1TTK
SCHEMBL23607857 0.78 ROCK2 (0.51) GSK3BDYRK1AROCK2WNT1TTK
SCHEMBL30969365 0.78 ROCK2 (0.51) GSK3BDYRK1AROCK2WNT1TTK
SCHEMBL31147953 0.76 ROCK2 (0.51) GSK3BDYRK1AROCK2WNT1TTK
SCHEMBL18770752 0.76 ROCK2 (0.46) ROCK2
SCHEMBL18202874 0.75 ROCK2 (0.46) GSK3BDYRK1AROCK2

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 GSK3B 685/4885DYRK1A 1064/4885ROCK2 600/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 GSK3B 685/4885DYRK1A 1064/4885ROCK2 600/4885

“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.