SCHEMBL558622

SCHEMBL558622

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

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 8/20 0.57
GSK3B P49841 8/20 0.57
DYRK1A Q13627 8/20 0.57
USP30 Q70CQ3 1/20 0.47
EP300 Q09472 4/20 0.47
POLB P06746 1/20 0.46
ROCK1 Q13464 3/20 0.46
MYLK4 Q86YV6 3/20 0.46
MAP3K5 Q99683 1/20 0.45
ABL1 P00519 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL558193 0.87 GSK3B (0.63) WNT1GSK3BDYRK1AUSP30MAP3K5
SCHEMBL10165892 0.85 GSK3B (0.47) WNT1GSK3BDYRK1APOLBABL1
SCHEMBL558696 0.83 GSK3B (0.55) WNT1GSK3BDYRK1AUSP30ROCK1
SCHEMBL558043 0.81 DYRK1A (0.61) WNT1GSK3BDYRK1AUSP30ABL1
SCHEMBL558791 0.80 GSK3B (0.65) WNT1GSK3BDYRK1AUSP30MAP3K5
SCHEMBL24219082 0.80 GSK3B (0.71) WNT1GSK3BDYRK1AUSP30
SCHEMBL19515794 0.80 GSK3B (0.71) WNT1GSK3BDYRK1AUSP30
SCHEMBL19516185 0.79 GSK3B (0.71) WNT1GSK3BDYRK1AUSP30
SCHEMBL559024 0.79 DYRK1A (0.65) WNT1GSK3BDYRK1AUSP30
SCHEMBL12361578 0.78 POLB (0.46) WNT1GSK3BDYRK1APOLBABL1

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