SCHEMBL2178583

SCHEMBL2178583

COc1ccc(CCNc2nccc(-c3cc(N(C(=O)O)C(C)(C)C)c4cc(OC)ccc4c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
MKNK1 Q9BUB5 3/20 0.42
MKNK2 Q9HBH9 2/20 0.42
DYRK1A Q13627 4/20 0.42
CLK4 Q9HAZ1 4/20 0.42
DYRK1B Q9Y463 3/20 0.42
CLK1 P49759 3/20 0.42
CLK2 P49760 2/20 0.42
MAPT P10636 3/20 0.40
CASR P41180 1/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
HDAC3 O15379 1/20 0.38

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
SCHEMBL2177853 0.93 CCNT1 (0.46) CCNT1CCNA2CDK2CDK9DYRK1A
SCHEMBL2179774 0.92 CLK4 (0.50) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2180425 0.91 HDAC3 (0.44) CCNT1CCNA2CDK2CDK9MKNK1
SCHEMBL2176860 0.90 HDAC3 (0.38) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL2178733 0.89 MKNK1 (0.48) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2179735 0.89 ACP1 (0.44) CCNT1CCNA2CDK2CDK9MKNK1
SCHEMBL2178358 0.88 CASR (0.42) MKNK1MKNK2CLK4CASR
SCHEMBL2178193 0.87 DYRK1A (0.47) CCNT1CCNA2CDK2CDK9MKNK1
SCHEMBL2178948 0.87 DYRK1A (0.48) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2179518 0.86 CASR (0.39) MKNK1MKNK2DYRK1ACLK4DYRK1B

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 CCNT1 53/4885CCNA2 66/4885CDK2 23/4885

“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.