SCHEMBL559380

SCHEMBL559380

O=C(COc1ccc2ccccc2c1)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
ALPL P05186 1/20 0.52
WNT1 P04628 3/20 0.52
GSK3B P49841 3/20 0.52
DYRK1A Q13627 3/20 0.52
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
PORCN Q9H237 2/20 0.50
LMNA P02545 2/20 0.49
GALR3 O60755 1/20 0.49
STAT3 P40763 1/20 0.49
MAPT P10636 3/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
USP30 Q70CQ3 1/20 0.47
PPARG P37231 1/20 0.46

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
SCHEMBL558937 0.87 WNT1 (0.56) NOTUMWNT1GSK3BDYRK1APORCN
SCHEMBL560081 0.86 WNT3A (0.59) WNT1GSK3BDYRK1AUSP30WNT3A
SCHEMBL558511 0.83 PORCN (0.60) WNT1GSK3BDYRK1APORCN
SCHEMBL559683 0.83 WNT1 (0.51) NOTUMWNT1GSK3BDYRK1AUSP30
SCHEMBL559024 0.82 DYRK1A (0.65) WNT1GSK3BDYRK1AMEN1KMT2A
SCHEMBL558696 0.80 GSK3B (0.55) ALPLWNT1GSK3BDYRK1AUSP30
SCHEMBL558791 0.79 GSK3B (0.65) WNT1GSK3BDYRK1AUSP30WNT3A
SCHEMBL558997 0.79 DYRK1A (0.51) WNT1GSK3BDYRK1ANPC1RAB9A
SCHEMBL559364 0.79 MAPK8 (0.70) WNT1GSK3BDYRK1AALDH1A1WNT3A
SCHEMBL558043 0.78 DYRK1A (0.61) WNT1GSK3BDYRK1AUSP30

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 9 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

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 NOTUM 4067/4885ALPL 4135/4885WNT1 1140/4885
US-20100056506-A1 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS MAPK1, SLC5A1, ATF1 NOTUM 4067/4885ALPL 4135/4885WNT1 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.