SCHEMBL559264

SCHEMBL559264

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.56
DYRK1A Q13627 14/20 0.56
WNT1 P04628 12/20 0.56
USP30 Q70CQ3 1/20 0.49
MAPK8 P45983 2/20 0.47
MAPK10 P53779 1/20 0.47
WNT3A P56704 1/20 0.46
BRAF P15056 1/20 0.45
ABL1 P00519 1/20 0.45

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
SCHEMBL559440 0.85 GSK3B (0.55) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL559695 0.84 MAPK8 (0.58) GSK3BDYRK1AWNT1MAPK8WNT3A
SCHEMBL558791 0.83 GSK3B (0.65) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL558470 0.82 MAPK8 (0.56) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL558719 0.82 GSK3B (0.54) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL19515217 0.82 GSK3B (0.67) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL559265 0.81 GSK3B (0.54) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL559364 0.81 MAPK8 (0.70) GSK3BDYRK1AWNT1MAPK8MAPK10
SCHEMBL559024 0.80 DYRK1A (0.65) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL559694 0.80 ROCK2 (0.56) GSK3BDYRK1AWNT1MAPK8WNT3A

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.