SCHEMBL2178733

SCHEMBL2178733

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.48
SYK P43405 2/20 0.40
DYRK1A Q13627 4/20 0.36
CLK4 Q9HAZ1 4/20 0.36
DYRK1B Q9Y463 3/20 0.36
CLK1 P49759 3/20 0.36
KAT2B Q92831 2/20 0.36
CLK2 P49760 2/20 0.36
TERT O14746 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
HDAC2 Q92769 1/20 0.36
CYP2D6 P10635 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
NQO2 P16083 1/20 0.35
DNM2 P50570 2/20 0.35
NR4A1 P22736 1/20 0.35
HDAC1 Q13547 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
SCHEMBL2176860 0.91 HDAC3 (0.38) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2178583 0.89 CCNT1 (0.45) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2179118 0.88 PRKD3 (0.39) MKNK1SYKDYRK1ACLK4DYRK1B
SCHEMBL2179774 0.88 CLK4 (0.50) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2179735 0.86 ACP1 (0.44) MKNK1DYRK1ACLK4DYRK1BHDAC3
SCHEMBL2178948 0.86 DYRK1A (0.48) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2177853 0.86 CCNT1 (0.46) DYRK1ACLK4HDAC1
SCHEMBL2178358 0.86 CASR (0.42) MKNK1CLK4CYP2D6NQO2
SCHEMBL2177434 0.85 VNN1 (0.42) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2180425 0.85 HDAC3 (0.44) MKNK1DYRK1ACLK4DYRK1BCLK1

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 MKNK1 2469/4885SYK 3080/4885DYRK1A 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.