SCHEMBL2178166

SCHEMBL2178166

COc1cccc(CNc2nccc(-c3cc(N4CCOCC4)c4cc(OC)ccc4c3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.52
CLK4 Q9HAZ1 4/20 0.52
CLK1 P49759 3/20 0.52
MTOR P42345 1/20 0.52
SMG1 Q96Q15 1/20 0.52
MKNK1 Q9BUB5 6/20 0.49
DYRK1B Q9Y463 3/20 0.49
CLK2 P49760 2/20 0.48
STAT6 P42226 1/20 0.45
JAK2 O60674 2/20 0.45
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44
LRRK2 Q5S007 1/20 0.44
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42
PDE2A O00408 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL2177127 0.92 MKNK1 (0.55) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL2179063 0.92 DYRK1A (0.53) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL2181493 0.91 MTOR (0.47) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL2178288 0.91 MTOR (0.48) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL2179106 0.90 DYRK1A (0.52) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL10272914 0.90 DYRK1A (0.50) DYRK1ACLK4CLK1MKNK1DYRK1B
Hydrochloric Acid SCHEMBL2177661 0.89 DYRK1A (0.49) DYRK1ACLK4CLK1MKNK1DYRK1B
SCHEMBL2177110 0.88 MKNK1 (0.47) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL2177503 0.87 PIK3CA (0.47) DYRK1ACLK4CLK1MTORSMG1
SCHEMBL6126115 0.87 MKNK1 (0.53) DYRK1ACLK4CLK1MTORSMG1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US claimed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
US-8173808-B2 Substituted naphthalenyl-pyrimidine compounds ARQULE, INC. (US) 2012-05-08 US disclosed
WO-2011082268-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ARQULE INC. (US) 2011-07-07 WO disclosed
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 US disclosed
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 DYRK1A 2574/4885CLK4 3301/4885CLK1 3413/4885

“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.