SCHEMBL2178948

SCHEMBL2178948

COc1cccc(CNc2nccc(-c3cc(N(C(=O)O)C(C)(C)C)c4cc(OC)ccc4c3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
CLK1 P49759 3/20 0.48
DYRK1B Q9Y463 3/20 0.47
MKNK1 Q9BUB5 3/20 0.47
ROCK2 O75116 5/20 0.44
ROCK1 Q13464 4/20 0.44
CLK2 P49760 2/20 0.44
HDAC3 O15379 1/20 0.42
NCOR1 O75376 1/20 0.42
HDAC2 Q92769 1/20 0.42
ACP1 P24666 1/20 0.41
MAPK13 O15264 1/20 0.40
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 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
SCHEMBL2179774 0.92 CLK4 (0.50) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2176199 0.92 MITF (0.47) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2177386 0.91 HDAC3 (0.49) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2178193 0.90 DYRK1A (0.47) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2177434 0.88 VNN1 (0.42) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2178911 0.87 CASR (0.39) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2178583 0.87 CCNT1 (0.45) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2176860 0.86 HDAC3 (0.38) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2180425 0.86 HDAC3 (0.44) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2178733 0.86 MKNK1 (0.48) DYRK1ACLK4CLK1DYRK1BMKNK1

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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds DPYD, TP53, TYMP DYRK1A 2574/4885CLK4 3301/4885CLK1 3413/4885

“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.