SCHEMBL2179518

SCHEMBL2179518

COc1ccc2cc(-c3ccnc(NCCc4cccc(OC)c4OC)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASR P41180 3/20 0.39
MKNK1 Q9BUB5 3/20 0.37
MKNK2 Q9HBH9 2/20 0.37
MTNR1A P48039 12/20 0.37
MTNR1B P49286 8/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NQO2 P16083 1/20 0.36
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 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
SCHEMBL2178358 0.93 CASR (0.42) CASRMKNK1MKNK2MTNR1AMTNR1B
SCHEMBL2178583 0.86 CCNT1 (0.45) CASRMKNK1MKNK2DYRK1ACLK4
SCHEMBL2177853 0.86 CCNT1 (0.46) DYRK1ACLK4
SCHEMBL2179735 0.85 ACP1 (0.44) MKNK1MKNK2MTNR1AMTNR1BDYRK1A
SCHEMBL2176860 0.84 HDAC3 (0.38) MKNK1MKNK2PIK3CAPIK3CBPIK3CG
SCHEMBL2678669 0.84 CASR (0.41) CASRMKNK1MKNK2MTNR1AMTNR1B
SCHEMBL2178733 0.84 MKNK1 (0.48) MKNK1NQO2DYRK1ACLK4DYRK1B
SCHEMBL2180425 0.84 HDAC3 (0.44) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL2178911 0.83 CASR (0.39) CASRMKNK1MTNR1AMTNR1BPIK3CA
SCHEMBL2178948 0.83 DYRK1A (0.48) CASRMKNK1PIK3CAPIK3CBPIK3CG

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 2469/4885MKNK2 2712/4885

“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.