SCHEMBL558937

SCHEMBL558937

CC(C)c1ccc(OCC(=O)Nc2cc3cc(-c4cn[nH]c4)ccc3cn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 6/20 0.56
GSK3B P49841 6/20 0.56
DYRK1A Q13627 6/20 0.56
MAPT P10636 2/20 0.47
USP30 Q70CQ3 1/20 0.45
NOTUM Q6P988 1/20 0.44
MAPK8 P45983 1/20 0.44
PORCN Q9H237 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 2/20 0.43
ABL1 P00519 1/20 0.43
WNT3A P56704 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
SCHEMBL559380 0.87 NOTUM (0.52) WNT1GSK3BDYRK1AMAPTUSP30
SCHEMBL558791 0.83 GSK3B (0.65) WNT1GSK3BDYRK1AUSP30MAPK8
SCHEMBL558193 0.79 GSK3B (0.63) WNT1GSK3BDYRK1AUSP30ABL1
SCHEMBL559364 0.78 MAPK8 (0.70) WNT1GSK3BDYRK1AMAPK8ALDH1A1
SCHEMBL558696 0.78 GSK3B (0.55) WNT1GSK3BDYRK1AUSP30WNT3A
SCHEMBL559264 0.78 GSK3B (0.56) WNT1GSK3BDYRK1AUSP30MAPK8
SCHEMBL560081 0.77 WNT3A (0.59) WNT1GSK3BDYRK1AUSP30MAPK8
SCHEMBL558511 0.77 PORCN (0.60) WNT1GSK3BDYRK1APORCNABL1
SCHEMBL559695 0.77 MAPK8 (0.58) WNT1GSK3BDYRK1AMAPK8WNT3A
SCHEMBL19515217 0.77 GSK3B (0.67) WNT1GSK3BDYRK1AUSP30MAPK8

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.