SCHEMBL2229903

SCHEMBL2229903

CC(C)n1cc(-c2ccnc(Nc3ccc(N(C)C)cc3)n2)c2ccncc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.55
DYRK1A Q13627 3/20 0.51
GSK3B P49841 4/20 0.48
NFATC1 O95644 1/20 0.48
CDK4 P11802 4/20 0.46
CDK9 P50750 4/20 0.46
CCNE1 P24864 2/20 0.46
AURKA O14965 1/20 0.46
CDK1 P06493 1/20 0.46
CDK7 P50613 1/20 0.46
AURKB Q96GD4 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CCNK O75909 1/20 0.42
CCNC P24863 1/20 0.42
CDK8 P49336 1/20 0.42
CDK19 Q9BWU1 1/20 0.42
EGFR P00533 3/20 0.41
SCN9A Q15858 1/20 0.41
CCNT1 O60563 1/20 0.41

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
SCHEMBL12444954 0.89 GSK3B (0.51) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2229836 0.89 GSK3B (0.51) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2227951 0.88 DYRK1A (0.47) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2228372 0.88 GSK3B (0.50) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2227733 0.88 GSK3B (0.50) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL13425118 0.88 GSK3B (0.50) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2230142 0.88 CDK2 (0.53) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2227770 0.87 GSK3B (0.53) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2227042 0.86 GSK3B (0.48) CDK2DYRK1AGSK3BNFATC1CDK4
SCHEMBL2229727 0.86 MKNK1 (0.59) CDK2DYRK1AGSK3BNFATC1CDK4

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 4 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 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

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 CDK2 381/4885DYRK1A 1517/4885GSK3B 2618/4885

“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.