SCHEMBL2178911

SCHEMBL2178911

COc1ccc2cc(-c3ccnc(NCc4ccccc4C)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.39
MKNK1 Q9BUB5 3/20 0.38
DYRK1A Q13627 4/20 0.38
CLK4 Q9HAZ1 4/20 0.38
DYRK1B Q9Y463 3/20 0.38
MAPK13 O15264 1/20 0.38
RAF1 P04049 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
HDAC3 O15379 1/20 0.38
NCOR1 O75376 1/20 0.38
HDAC2 Q92769 1/20 0.38
CLK1 P49759 3/20 0.37
CLK2 P49760 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
BTK Q06187 1/20 0.36
PIK3CA P42336 1/20 0.35

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
SCHEMBL2177434 0.88 VNN1 (0.42) MKNK1DYRK1ACLK4DYRK1BMAPK13
SCHEMBL2179774 0.88 CLK4 (0.50) MKNK1DYRK1ACLK4DYRK1BMAPK13
SCHEMBL2178948 0.87 DYRK1A (0.48) CASRMKNK1DYRK1ACLK4DYRK1B
SCHEMBL2178358 0.87 CASR (0.42) CASRMKNK1CLK4MTNR1AMTNR1B
SCHEMBL2176860 0.85 HDAC3 (0.38) MKNK1DYRK1ACLK4DYRK1BRAF1
SCHEMBL2177386 0.85 HDAC3 (0.49) MKNK1DYRK1ACLK4DYRK1BHDAC3
SCHEMBL2178733 0.84 MKNK1 (0.48) MKNK1DYRK1ACLK4DYRK1BHDAC3
SCHEMBL2179735 0.84 ACP1 (0.44) MKNK1DYRK1ACLK4DYRK1BRAF1
SCHEMBL2178193 0.84 DYRK1A (0.47) MKNK1DYRK1ACLK4DYRK1BMAPK13
SCHEMBL2178583 0.84 CCNT1 (0.45) CASRMKNK1DYRK1ACLK4DYRK1B

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 CASR 4176/4885MKNK1 2469/4885DYRK1A 2574/4885

“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.