SCHEMBL2176199

SCHEMBL2176199

COc1ccc2cc(-c3ccnc(NCc4cccc(C(F)(F)F)c4)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.47
SCD O00767 6/20 0.45
MAPK13 O15264 1/20 0.43
MAPK9 P45984 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
AURKA O14965 2/20 0.43
RPS6KB1 P23443 2/20 0.43
DYRK1A Q13627 3/20 0.42
CLK4 Q9HAZ1 3/20 0.42
CLK1 P49759 2/20 0.42
DYRK1B Q9Y463 2/20 0.42
MKNK1 Q9BUB5 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CLK2 P49760 1/20 0.40
GSK3B P49841 1/20 0.40
HDAC3 O15379 1/20 0.39

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
SCHEMBL2178948 0.92 DYRK1A (0.48) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL2179774 0.88 CLK4 (0.50) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL2177386 0.87 HDAC3 (0.49) DYRK1ACLK4CLK1DYRK1BMKNK1
SCHEMBL2178193 0.86 DYRK1A (0.47) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL2678916 0.84 MITF (0.54) MITFSCDMAPK13MAPK9MAPK12
SCHEMBL2177434 0.83 VNN1 (0.42) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL2178911 0.83 CASR (0.39) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL2178583 0.83 CCNT1 (0.45) MAPK13MAPK9MAPK12MAPK11MAPK14
SCHEMBL2176860 0.82 HDAC3 (0.38) MAPK9AURKADYRK1ACLK4CLK1
SCHEMBL6128690 0.82 MITF (0.47) MITFSCDMAPK13MAPK9MAPK12

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 MITF 680/4885SCD 2522/4885MAPK13 3283/4885

“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.