SCHEMBL2179174

SCHEMBL2179174

COc1ccc2cc(-c3ccnc(NC4CC(C)(C)N(C)C(C)(C)C4)n3)cc(N(C(=O)O)C(C)(C)C)c2c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.37
MAPK1 P28482 4/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK3 P27361 1/20 0.36
MKNK1 Q9BUB5 4/20 0.35
GSK3B P49841 4/20 0.35
SYK P43405 3/20 0.35
HDAC8 Q9BY41 2/20 0.34
MKNK2 Q9HBH9 1/20 0.34
ROCK2 O75116 2/20 0.34

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
SCHEMBL2678012 0.83 EIF2AK2 (0.42) EIF2AK2MAPK1CCNA2CDK2MAPK3
SCHEMBL6128576 0.81 EIF2AK2 (0.37) EIF2AK2MAPK1CCNA2CDK2MAPK3
SCHEMBL2177558 0.81 ACHE (0.51) HDAC8
SCHEMBL2180119 0.81 MAPK10 (0.40) EIF2AK2MAPK1CCNA2CDK2MAPK3
SCHEMBL2179774 0.79 CLK4 (0.50) MKNK1
SCHEMBL2176860 0.78 HDAC3 (0.38) EIF2AK2MKNK1GSK3BMKNK2
SCHEMBL2178733 0.78 MKNK1 (0.48) MKNK1SYK
SCHEMBL2179483 0.77 LMNA (0.39) MAPK1
SCHEMBL2179041 0.77 MKNK1 (0.42) MAPK1MKNK1GSK3BSYKMKNK2
SCHEMBL2176497 0.77 NCF1 (0.45) EIF2AK2CCNA2CDK2MKNK1MKNK2

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 EIF2AK2 1269/4885MAPK1 3178/4885CCNA2 66/4885

“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.