SCHEMBL2180127

SCHEMBL2180127

CNc1nccc(-c2cc(NC3CCCNC3)c3cc(OC)ccc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.47
MKNK2 Q9HBH9 1/20 0.47
EIF2AK2 P19525 1/20 0.46
PDPK1 O15530 2/20 0.44
RPS6KB1 P23443 2/20 0.44
PRKCZ Q05513 13/20 0.44
PRKD2 Q9BZL6 10/20 0.44
MAPK10 P53779 1/20 0.40
CHEK1 O14757 1/20 0.39

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
SCHEMBL2177133 0.95 MKNK1 (0.53) MKNK1MKNK2EIF2AK2PDPK1RPS6KB1
SCHEMBL2175893 0.89 MKNK1 (0.51) MKNK1MKNK2EIF2AK2
SCHEMBL6126567 0.83 IKBKB (0.48) MKNK1EIF2AK2MAPK10
SCHEMBL2179297 0.80 EIF2AK2 (0.41) MKNK1MKNK2EIF2AK2
SCHEMBL2176320 0.78 NOS3 (0.41) MKNK1MKNK2EIF2AK2
SCHEMBL2179393 0.78 EHMT1 (0.40) MKNK1EIF2AK2
SCHEMBL12489870 0.77 EZH2 (0.41) MKNK1EIF2AK2MAPK10
SCHEMBL12489868 0.77 EIF2AK2 (0.39) MKNK1MKNK2EIF2AK2PDPK1
SCHEMBL2179213 0.77 EIF2AK2 (0.39) MKNK1MKNK2EIF2AK2MAPK10
SCHEMBL2176982 0.77 EZH2 (0.40) MKNK1MKNK2EIF2AK2PRKD2

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 9 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
EP-2519519-A2 SUBSTITUTED NAPHTHALENYL-PYRIMIDINE COMPOUNDS ArQule, Inc. (US) 2012-11-07 EP disclosed
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-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
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 MKNK1 2469/4885MKNK2 2712/4885EIF2AK2 1269/4885

“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.