SCHEMBL2177296

SCHEMBL2177296

CNc1nccc(-c2cc(NC3CCN(c4ccnc(SC)n4)CC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 5/20 0.42
CDK8 P49336 5/20 0.42
EZH2 Q15910 2/20 0.40
EIF2AK2 P19525 1/20 0.38
MAPK10 P53779 2/20 0.36
HRH4 Q9H3N8 3/20 0.36
MKNK1 Q9BUB5 3/20 0.36
MTOR P42345 1/20 0.36
SMG1 Q96Q15 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
IKBKB O14920 1/20 0.34
F10 P00742 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
SCHEMBL2177377 0.86 PHGDH (0.45) CCNCCDK8EZH2MAPK10
SCHEMBL12489870 0.85 EZH2 (0.41) CCNCCDK8EZH2EIF2AK2MAPK10
SCHEMBL2179297 0.85 EIF2AK2 (0.41) CCNCCDK8EZH2EIF2AK2MKNK1
SCHEMBL12489865 0.85 EZH2 (0.41) CCNCCDK8EZH2EIF2AK2MKNK1
SCHEMBL6126567 0.85 IKBKB (0.48) EZH2EIF2AK2MAPK10MKNK1IKBKB
SCHEMBL2178208 0.84 EZH2 (0.40) CCNCCDK8EZH2EIF2AK2MKNK1
SCHEMBL2179145 0.84 EZH2 (0.42) CCNCCDK8EZH2EIF2AK2MAPK10
SCHEMBL2181275 0.84 EZH2 (0.40) CCNCCDK8EZH2EIF2AK2HRH4
SCHEMBL12489868 0.84 EIF2AK2 (0.39) CCNCCDK8EZH2EIF2AK2HRH4
SCHEMBL2176982 0.83 EZH2 (0.40) CCNCCDK8EZH2EIF2AK2MKNK1

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

“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.