SCHEMBL11926780

SCHEMBL11926780

Nc1ncnc2c1c(I)cn2S

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK3 O43781 2/20 0.49
▸ PRKD3 O94806 2/20 0.49
▸ MAP4K4 O95819 2/20 0.49
▸ PRKACA P17612 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.49
▸ MARK3 P27448 2/20 0.49
▸ CSNK1A1 P48729 2/20 0.49
▸ CSNK1D P48730 2/20 0.49
▸ CLK2 P49760 2/20 0.49
▸ IRAK1 P51617 2/20 0.49
▸ CSNK1G2 P78368 2/20 0.49
▸ MAP4K2 Q12851 2/20 0.49
▸ DYRK1A Q13627 2/20 0.49
▸ MINK1 Q8N4C8 2/20 0.49
▸ SLK Q9H2G2 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ MKNK2 Q9HBH9 2/20 0.49
▸ SGK2 Q9HBY8 2/20 0.49
▸ ROCK2 O75116 1/20 0.49
▸ PHKG2 P15735 1/20 0.49

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
SCHEMBL12934038 0.79 DYRK3 (0.50) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL22430490 0.79 DYRK3 (0.50) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL16790649 0.78 DYRK3 (0.49) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL11927547 0.78 ADK (0.31) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL1585102 0.78 ADK (0.49) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL400627 0.75 DYRK3 (0.44) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL1783992 0.74 PIK3CD (0.51) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL29503447 0.74 DYRK3 (0.59) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL3782622 0.74 DYRK3 (0.59) DYRK3PRKD3MAP4K4PRKACARPS6KB1
SCHEMBL19304152 0.74 SRC (0.57) DYRK3PRKD3MAP4K4PRKACARPS6KB1

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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 — — 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-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS PDK1, PDK2, PDK3 DYRK3 2236/4885PRKD3 23/4885MAP4K4 147/4885

“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.

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