SCHEMBL2178003

SCHEMBL2178003

CNc1nccc(-c2cc(NC3CCN(c4cc(=O)[nH]cn4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.41
CCNC P24863 3/20 0.39
CDK8 P49336 3/20 0.39
EIF2AK2 P19525 1/20 0.39
MTOR P42345 1/20 0.38
SMG1 Q96Q15 1/20 0.38
MKNK1 Q9BUB5 3/20 0.37
SRC P12931 1/20 0.36
FLT3 P36888 1/20 0.36
ITK Q08881 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
MAPK3 P27361 1/20 0.36
MAPK1 P28482 1/20 0.36
MKNK2 Q9HBH9 1/20 0.34
AURKA O14965 2/20 0.34
TTK P33981 2/20 0.34
AURKB Q96GD4 2/20 0.34
INCENP Q9NQS7 2/20 0.34
MAPK10 P53779 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
SCHEMBL12489870 0.86 EZH2 (0.41) EZH2CCNCCDK8EIF2AK2MTOR
SCHEMBL2178208 0.84 EZH2 (0.40) EZH2CCNCCDK8EIF2AK2MTOR
SCHEMBL2181275 0.84 EZH2 (0.40) EZH2CCNCCDK8EIF2AK2MTOR
SCHEMBL6128585 0.84 MAPT (0.45) EZH2CCNCCDK8EIF2AK2MKNK1
SCHEMBL2180148 0.84 EIF2AK2 (0.39) EZH2CCNCCDK8EIF2AK2MKNK1
SCHEMBL2179297 0.84 EIF2AK2 (0.41) EZH2CCNCCDK8EIF2AK2MKNK1
SCHEMBL2176982 0.84 EZH2 (0.40) EZH2CCNCCDK8EIF2AK2MTOR
SCHEMBL12489865 0.83 EZH2 (0.41) EZH2CCNCCDK8EIF2AK2MTOR
SCHEMBL6126567 0.83 IKBKB (0.48) EZH2EIF2AK2MKNK1CCNA2CDK2
SCHEMBL2177377 0.83 PHGDH (0.45) EZH2CCNCCDK8MAPK10

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 5 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
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 EZH2 1761/4885CCNC 27/4885CDK8 48/4885

“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.