SCHEMBL558696

SCHEMBL558696

O=C(CC(c1ccccc1)c1ccccc1)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.55
DYRK1A Q13627 6/20 0.55
WNT1 P04628 4/20 0.55
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
USP30 Q70CQ3 1/20 0.47
ROCK1 Q13464 3/20 0.46
MYLK4 Q86YV6 3/20 0.46
ROCK2 O75116 4/20 0.44
ALPL P05186 1/20 0.44
ALOX15 P16050 1/20 0.44
AKT2 P31751 1/20 0.44
MAP4K4 O95819 1/20 0.43
TYK2 P29597 1/20 0.43
MINK1 Q8N4C8 1/20 0.43
SRPK1 Q96SB4 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAP3K5 Q99683 1/20 0.43
WNT3A P56704 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
SCHEMBL558791 0.86 GSK3B (0.65) GSK3BDYRK1AWNT1USP30MAP3K5
SCHEMBL559024 0.85 DYRK1A (0.65) GSK3BDYRK1AWNT1USP30ROCK2
SCHEMBL558622 0.83 WNT1 (0.57) GSK3BDYRK1AWNT1USP30ROCK1
SCHEMBL558997 0.82 DYRK1A (0.51) GSK3BDYRK1AWNT1USP30ROCK2
SCHEMBL559683 0.82 WNT1 (0.51) GSK3BDYRK1AWNT1USP30ROCK1
SCHEMBL558043 0.81 DYRK1A (0.61) GSK3BDYRK1AWNT1USP30
SCHEMBL3490264 0.81 WNT1 (0.49) GSK3BDYRK1AWNT1USP30ROCK1
SCHEMBL560081 0.80 WNT3A (0.59) GSK3BDYRK1AWNT1USP30WNT3A
SCHEMBL559380 0.80 NOTUM (0.52) GSK3BDYRK1AWNT1HTTNPSR1
SCHEMBL559264 0.79 GSK3B (0.56) GSK3BDYRK1AWNT1USP30WNT3A

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

“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.