SCHEMBL2227770

SCHEMBL2227770

CC(C)n1cc(-c2ccnc(Nc3ccccc3)n2)c2ccncc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.53
MKNK1 Q9BUB5 1/20 0.53
MKNK2 Q9HBH9 1/20 0.53
DYRK1A Q13627 4/20 0.52
NFATC1 O95644 1/20 0.52
CDK2 P24941 6/20 0.50
CDK4 P11802 4/20 0.50
EGFR P00533 3/20 0.48
ABL1 P00519 1/20 0.48
PRKCA P17252 1/20 0.48
PRKCD Q05655 1/20 0.48
DYRK1B Q9Y463 2/20 0.47
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
KDR P35968 1/20 0.46
PLK1 P53350 1/20 0.46
PTK2 Q05397 1/20 0.46
CDK9 P50750 2/20 0.45

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
SCHEMBL2226847 0.92 GSK3B (0.51) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2229962 0.91 MKNK1 (0.50) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL12444954 0.90 GSK3B (0.51) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2229836 0.90 GSK3B (0.51) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL13425118 0.89 GSK3B (0.50) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2227733 0.89 GSK3B (0.50) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2230142 0.89 CDK2 (0.53) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2228372 0.89 GSK3B (0.50) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2227344 0.89 DYRK1A (0.57) GSK3BMKNK1MKNK2DYRK1ANFATC1
SCHEMBL2228335 0.88 MKNK1 (0.52) GSK3BMKNK1MKNK2DYRK1ANFATC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US claimed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO claimed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
US-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY GOTO YASUHIRO 2011-07-28 US disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO disclosed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 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-20110183975-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY BRIX1, REL, CNKSR1 GSK3B 2618/4885MKNK1 332/4885MKNK2 181/4885

“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.