SCHEMBL2177377

SCHEMBL2177377

CNc1nccc(-c2cc(NC3CCN(c4ccc5ccccc5n4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 1/20 0.45
EZH2 Q15910 2/20 0.44
PDE10A Q9Y233 5/20 0.43
CCNC P24863 3/20 0.42
CDK8 P49336 3/20 0.42
MAPK10 P53779 2/20 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
SCHEMBL2179297 0.87 EIF2AK2 (0.41) EZH2CCNCCDK8
SCHEMBL12489865 0.86 EZH2 (0.41) EZH2CCNCCDK8
SCHEMBL2177296 0.86 CCNC (0.42) EZH2CCNCCDK8MAPK10
SCHEMBL12489870 0.85 EZH2 (0.41) EZH2CCNCCDK8MAPK10
SCHEMBL6126567 0.85 IKBKB (0.48) EZH2MAPK10
SCHEMBL2178208 0.84 EZH2 (0.40) EZH2CCNCCDK8
SCHEMBL2181275 0.84 EZH2 (0.40) EZH2CCNCCDK8
SCHEMBL2179145 0.84 EZH2 (0.42) EZH2CCNCCDK8MAPK10
SCHEMBL2180806 0.84 JAK2 (0.43) EZH2CCNCCDK8
SCHEMBL2178619 0.83 EZH2 (0.41) 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 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 PHGDH 984/4885EZH2 1761/4885PDE10A 2247/4885

“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.