SCHEMBL2228613

SCHEMBL2228613

Cc1cc(C)cc(Nc2nccc(-c3cn(C(C)C)c4cnccc34)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.53
GSK3B P49841 4/20 0.53
CDK4 P11802 3/20 0.53
DYRK1A Q13627 4/20 0.50
NFATC1 O95644 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
SYK P43405 10/20 0.47
ZAP70 P43403 7/20 0.47
SRC P12931 5/20 0.47
JAK2 O60674 3/20 0.43
FLT3 P36888 2/20 0.43
DYRK3 O43781 1/20 0.43
IGF1R P08069 1/20 0.43
CLK1 P49759 1/20 0.43
CLK2 P49760 1/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
DYRK2 Q92630 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL2228890 0.93 CDK2 (0.47) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2227344 0.91 DYRK1A (0.57) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2228014 0.91 CDK2 (0.45) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2229836 0.90 GSK3B (0.51) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL12444954 0.90 GSK3B (0.51) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2231152 0.89 CDK2 (0.47) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2228005 0.88 GSK3B (0.49) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2229617 0.88 CDK2 (0.52) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL13425118 0.87 GSK3B (0.50) CDK2GSK3BCDK4DYRK1ANFATC1
SCHEMBL2227770 0.87 GSK3B (0.53) CDK2GSK3BCDK4DYRK1ANFATC1

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 381/4885GSK3B 2618/4885CDK4 405/4885

“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.