SCHEMBL2179213

SCHEMBL2179213

CNc1nccc(-c2cc(NC3CCN(c4nccnc4Cl)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.39
IKBKB O14920 3/20 0.39
CCNC P24863 3/20 0.38
CDK8 P49336 3/20 0.38
EZH2 Q15910 2/20 0.38
MKNK1 Q9BUB5 4/20 0.37
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
PIK3CG P48736 2/20 0.36
MKNK2 Q9HBH9 1/20 0.34
MCHR1 Q99705 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
MAPK10 P53779 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
SCHEMBL12489868 0.90 EIF2AK2 (0.39) EIF2AK2IKBKBCCNCCDK8EZH2
SCHEMBL2180495 0.88 EIF2AK2 (0.38) EIF2AK2IKBKBCCNCCDK8EZH2
SCHEMBL12486630 0.87 CCNC (0.38) EIF2AK2IKBKBCCNCCDK8EZH2
SCHEMBL2179297 0.86 EIF2AK2 (0.41) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL6126567 0.86 IKBKB (0.48) EIF2AK2IKBKBEZH2MKNK1EHMT1
SCHEMBL2178208 0.85 EZH2 (0.40) EIF2AK2IKBKBCCNCCDK8EZH2
SCHEMBL2180218 0.85 ALDH1A1 (0.44) EIF2AK2CCNCCDK8EZH2MKNK1
SCHEMBL2178619 0.85 EZH2 (0.41) EIF2AK2IKBKBCCNCCDK8EZH2
SCHEMBL2178581 0.84 CCNC (0.41) EIF2AK2CCNCCDK8MKNK1
SCHEMBL2179393 0.84 EHMT1 (0.40) EIF2AK2IKBKBCCNCCDK8EZH2

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 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 EIF2AK2 1269/4885IKBKB 401/4885CCNC 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.