SCHEMBL2228210

SCHEMBL2228210

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.53
CDK2 P24941 6/20 0.53
CDK4 P11802 5/20 0.53
DYRK1A Q13627 4/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NFATC1 O95644 1/20 0.47
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
JAK2 O60674 1/20 0.44
IKBKB O14920 2/20 0.44
CDK9 P50750 2/20 0.42
CCNT1 O60563 1/20 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
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
NR3C2 P08235 1/20 0.42

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
SCHEMBL2229802 0.91 MKNK1 (0.47) GSK3BCDK2CDK4DYRK1AMEN1
SCHEMBL2229402 0.89 ADORA2B (0.45) GSK3BCDK2CDK4DYRK1AMEN1
SCHEMBL2228031 0.89 GSK3B (0.57) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL2228389 0.88 MKNK1 (0.46) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL2228014 0.88 CDK2 (0.45) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL12444954 0.88 GSK3B (0.51) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL2229836 0.88 GSK3B (0.51) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL2229446 0.87 MKNK1 (0.47) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL2230002 0.87 CDK2 (0.43) GSK3BCDK2CDK4DYRK1ANFATC1
SCHEMBL2226944 0.87 CDK2 (0.43) GSK3BCDK2CDK4DYRK1ANFATC1

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 3 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

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 2618/4885CDK2 381/4885CDK4 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.