SCHEMBL2176226

SCHEMBL2176226

COc1cccc(CCNc2nccc(-c3cc(N4CCN(c5ncnc6[nH]nc(Br)c56)CC4)c4cc(OC)ccc4c3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 7/20 0.41
MKNK2 Q9HBH9 2/20 0.41
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 1/20 0.38
RPS6KB1 P23443 1/20 0.37
CLK1 P49759 1/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
AKT2 P31751 1/20 0.36
NMT1 P30419 1/20 0.35
CCNA1 P78396 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
STK4 Q13043 1/20 0.35
STK3 Q13188 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL2177965 0.92 CCNT1 (0.42) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL2177179 0.89 EIF2AK2 (0.36) MKNK1DYRK1ACLK4DYRK1BRPS6KB1
SCHEMBL2180818 0.88 MKNK1 (0.39) MKNK1DYRK1ACLK4DYRK1BRPS6KB1
SCHEMBL2178372 0.86 RPS6KB1 (0.37) RPS6KB1CCNA2CDK2CCNA1STK4
SCHEMBL2177109 0.82 MKNK1 (0.48) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL2177110 0.77 MKNK1 (0.47) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL2178166 0.77 DYRK1A (0.52) MKNK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL2177011 0.77 NCF1 (0.47) MKNK1MKNK2DYRK1ACLK4DYRK1B
SCHEMBL10272914 0.77 DYRK1A (0.50) MKNK1DYRK1ACLK4DYRK1BRPS6KB1
Hydrochloric Acid SCHEMBL2177661 0.76 DYRK1A (0.49) MKNK1DYRK1ACLK4DYRK1BRPS6KB1

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
US-20110166137-A1 Substituted Naphthalenyl-Pyrimidine Compounds ARQULE, INC. (US) 2011-07-07 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

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 2469/4885MKNK2 2712/4885DYRK1A 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.