SCHEMBL2227042

SCHEMBL2227042

CSc1ccc(Nc2nccc(-c3cn(C(C)C)c4cnccc34)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.48
DYRK1A Q13627 3/20 0.48
NFATC1 O95644 1/20 0.48
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CDK2 P24941 9/20 0.42
CDK9 P50750 3/20 0.42
CDK4 P11802 3/20 0.42
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 2/20 0.41
CCNT1 O60563 1/20 0.41
DYRK1B Q9Y463 2/20 0.40
DYRK3 O43781 1/20 0.40
IGF1R P08069 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL2229836 0.89 GSK3B (0.51) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL12444954 0.89 GSK3B (0.51) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2226648 0.88 MKNK1 (0.47) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2230142 0.88 CDK2 (0.53) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2228372 0.88 GSK3B (0.50) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2227733 0.88 GSK3B (0.50) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL13425118 0.88 GSK3B (0.50) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2227770 0.87 GSK3B (0.53) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2229903 0.86 CDK2 (0.55) GSK3BDYRK1ANFATC1MKNK1MKNK2
SCHEMBL2229727 0.86 MKNK1 (0.59) GSK3BDYRK1ANFATC1MKNK1MKNK2

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 GSK3B 2618/4885DYRK1A 1517/4885NFATC1 547/4885

“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.