SCHEMBL558193

SCHEMBL558193

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

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.63
DYRK1A Q13627 15/20 0.63
WNT1 P04628 11/20 0.63
ABL1 P00519 3/20 0.53
USP30 Q70CQ3 1/20 0.52
MAP3K5 Q99683 1/20 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
SCHEMBL558622 0.87 WNT1 (0.57) GSK3BDYRK1AWNT1ABL1USP30
SCHEMBL558791 0.85 GSK3B (0.65) GSK3BDYRK1AWNT1USP30MAP3K5
SCHEMBL24219082 0.85 GSK3B (0.71) GSK3BDYRK1AWNT1USP30
SCHEMBL19515794 0.85 GSK3B (0.71) GSK3BDYRK1AWNT1USP30
SCHEMBL19516185 0.84 GSK3B (0.71) GSK3BDYRK1AWNT1USP30
SCHEMBL19515236 0.83 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL19515237 0.83 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL30005765 0.83 GSK3B (0.72) GSK3BDYRK1AWNT1USP30
SCHEMBL19699511 0.83 WNT3A (0.47) GSK3BDYRK1AWNT1
SCHEMBL19515815 0.82 GSK3B (0.73) GSK3BDYRK1AWNT1ABL1USP30

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.