SCHEMBL559868

SCHEMBL559868

O=C(Cc1ccc(C(F)(F)F)cc1)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 2/20 0.54
DYRK1A Q13627 11/20 0.52
GSK3B P49841 10/20 0.52
WNT1 P04628 6/20 0.52
MAPK8 P45983 1/20 0.52
USP30 Q70CQ3 1/20 0.45
RIOK2 Q9BVS4 1/20 0.45
MAPK14 Q16539 1/20 0.45
ABL1 P00519 1/20 0.43
ROCK1 Q13464 1/20 0.43
MYLK4 Q86YV6 1/20 0.43
RET P07949 1/20 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
SCHEMBL558686 0.90 GSK3B (0.53) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL559024 0.87 DYRK1A (0.65) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL559364 0.85 MAPK8 (0.70) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL560081 0.84 WNT3A (0.59) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL559251 0.82 DYRK1A (0.51) DYRK1AGSK3BWNT1USP30ROCK1
SCHEMBL559705 0.81 DYRK1A (0.47) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL15583582 0.80 ROCK2 (0.55) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL559265 0.79 GSK3B (0.54) WNT3ADYRK1AGSK3BWNT1MAPK8
SCHEMBL19515963 0.78 GSK3B (0.65) DYRK1AGSK3BWNT1USP30ABL1
SCHEMBL558791 0.77 GSK3B (0.65) WNT3ADYRK1AGSK3BWNT1MAPK8

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 8 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-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 WNT3A 1899/4885DYRK1A 1064/4885GSK3B 685/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 WNT3A 1899/4885DYRK1A 1064/4885GSK3B 685/4885

“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.