SCHEMBL2178619

SCHEMBL2178619

CNc1nccc(-c2cc(NC3CCN(c4cc(Cl)nc(C)n4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 2/20 0.41
EIF2AK2 P19525 1/20 0.40
CCNC P24863 4/20 0.38
CDK8 P49336 4/20 0.38
IKBKB O14920 3/20 0.37
MAPK10 P53779 2/20 0.36
MKNK1 Q9BUB5 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
MTOR P42345 1/20 0.35
SMG1 Q96Q15 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
MCHR1 Q99705 1/20 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
SCHEMBL2178208 0.90 EZH2 (0.40) EZH2EIF2AK2CCNCCDK8IKBKB
SCHEMBL2179320 0.87 EZH2 (0.39) EZH2EIF2AK2CCNCCDK8IKBKB
SCHEMBL2179145 0.85 EZH2 (0.42) EZH2EIF2AK2CCNCCDK8IKBKB
SCHEMBL2179213 0.85 EIF2AK2 (0.39) EZH2EIF2AK2CCNCCDK8IKBKB
SCHEMBL12489870 0.85 EZH2 (0.41) EZH2EIF2AK2CCNCCDK8MAPK10
SCHEMBL2179297 0.84 EIF2AK2 (0.41) EZH2EIF2AK2CCNCCDK8MKNK1
SCHEMBL12489865 0.84 EZH2 (0.41) EZH2EIF2AK2CCNCCDK8MKNK1
SCHEMBL6126567 0.84 IKBKB (0.48) EZH2EIF2AK2IKBKBMAPK10MKNK1
SCHEMBL2181275 0.83 EZH2 (0.40) EZH2EIF2AK2CCNCCDK8MKNK1
SCHEMBL2177296 0.83 CCNC (0.42) EZH2EIF2AK2CCNCCDK8IKBKB

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
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

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 1761/4885EIF2AK2 1269/4885CCNC 27/4885

“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.