SCHEMBL558873

SCHEMBL558873

O=C(Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)[C@H]1CN(C(=O)O)C[C@@H]1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 12/20 0.54
DYRK1A Q13627 12/20 0.54
WNT1 P04628 7/20 0.54
USP30 Q70CQ3 1/20 0.53
ROCK2 O75116 1/20 0.48
ABL1 P00519 3/20 0.46
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
MAP4K1 Q92918 2/20 0.43

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
SCHEMBL10165990 0.90 GSK3B (0.52) GSK3BDYRK1AWNT1USP30ROCK2
SCHEMBL560197 0.87 ABL1 (0.58) GSK3BDYRK1AWNT1USP30ROCK2
SCHEMBL23923853 0.84 ABL1 (0.48) GSK3BDYRK1AWNT1ROCK2ABL1
SCHEMBL23923854 0.84 ABL1 (0.48) GSK3BDYRK1AWNT1ROCK2ABL1
SCHEMBL19515815 0.79 GSK3B (0.73) GSK3BDYRK1AWNT1USP30ABL1
SCHEMBL19516111 0.78 DYRK1A (0.71) GSK3BDYRK1AWNT1USP30ABL1
SCHEMBL17632071 0.77 DYRK1A (0.63) GSK3BDYRK1AWNT1USP30
SCHEMBL19516204 0.76 GSK3B (0.70) GSK3BDYRK1AWNT1USP30ABL1
SCHEMBL19516327 0.76 GSK3B (0.67) GSK3BDYRK1AWNT1USP30ABL1
SCHEMBL559169 0.75 DYRK1A (0.73) GSK3BDYRK1AWNT1USP30

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.