SCHEMBL559822

SCHEMBL559822

O=C(CNC(=O)C1(c2ccccc2)CC1)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.49
DYRK1A Q13627 10/20 0.49
WNT1 P04628 5/20 0.49
USP30 Q70CQ3 1/20 0.45
HDAC1 Q13547 3/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
MAPK8 P45983 1/20 0.41
WNT3A P56704 2/20 0.41
ROCK2 O75116 1/20 0.40
ABL1 P00519 1/20 0.40

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
SCHEMBL558997 0.84 DYRK1A (0.51) GSK3BDYRK1AWNT1USP30ROCK2
SCHEMBL559024 0.80 DYRK1A (0.65) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL558696 0.78 GSK3B (0.55) GSK3BDYRK1AWNT1USP30WNT3A
SCHEMBL559168 0.77 GSK3B (0.54) GSK3BDYRK1AWNT1USP30WNT3A
SCHEMBL560081 0.77 WNT3A (0.59) GSK3BDYRK1AWNT1USP30MAPK8
SCHEMBL559683 0.76 WNT1 (0.51) GSK3BDYRK1AWNT1USP30WNT3A
SCHEMBL558043 0.76 DYRK1A (0.61) GSK3BDYRK1AWNT1USP30ABL1
SCHEMBL19516175 0.75 DYRK1A (0.60) GSK3BDYRK1AWNT1USP30ABL1
SCHEMBL559380 0.75 NOTUM (0.52) GSK3BDYRK1AWNT1USP30LMNA
SCHEMBL558713 0.74 GSK3B (0.49) GSK3BDYRK1AWNT1USP30MAPK8

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-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.