SCHEMBL3490264

SCHEMBL3490264

O=C(O)NC(CC(=O)Nc1cc2cc(-c3cn[nH]c3)ccc2cn1)c1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 2/20 0.49
GSK3B P49841 2/20 0.49
DYRK1A Q13627 2/20 0.49
ROCK1 Q13464 15/20 0.48
ROCK2 O75116 14/20 0.48
ABL1 P00519 2/20 0.44
USP30 Q70CQ3 1/20 0.42
MYLK4 Q86YV6 1/20 0.41

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
SCHEMBL10165982 0.89 GSK3B (0.47) WNT1GSK3BDYRK1AROCK1ROCK2
SCHEMBL562527 0.82 GSK3B (0.46) WNT1GSK3BDYRK1AROCK1ROCK2
SCHEMBL558696 0.81 GSK3B (0.55) WNT1GSK3BDYRK1AROCK1ROCK2
SCHEMBL558791 0.80 GSK3B (0.65) WNT1GSK3BDYRK1AUSP30
SCHEMBL559024 0.77 DYRK1A (0.65) WNT1GSK3BDYRK1AROCK2USP30
SCHEMBL559705 0.77 DYRK1A (0.47) WNT1GSK3BDYRK1AROCK1ROCK2
SCHEMBL15583582 0.75 ROCK2 (0.55) WNT1GSK3BDYRK1AROCK2USP30
SCHEMBL558997 0.74 DYRK1A (0.51) WNT1GSK3BDYRK1AROCK2ABL1
SCHEMBL559683 0.74 WNT1 (0.51) WNT1GSK3BDYRK1AROCK1ROCK2
SCHEMBL559265 0.74 GSK3B (0.54) WNT1GSK3BDYRK1AROCK2ABL1

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-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 (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-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.