SCHEMBL2230002

SCHEMBL2230002

CC(C)n1cc(-c2ccnc(Nc3cc(F)cc(C#N)c3)n2)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 9/20 0.43
CDK4 P11802 7/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
GSK3B P49841 7/20 0.43
DYRK1A Q13627 5/20 0.43
NFATC1 O95644 1/20 0.43
GRM5 P41594 1/20 0.40
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
IDH1 O75874 2/20 0.39
DYRK3 O43781 1/20 0.39
IGF1R P08069 1/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
DYRK2 Q92630 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
DYRK4 Q9NR20 1/20 0.39

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 0.94 MKNK1 (0.47) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2228014 0.90 CDK2 (0.45) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2229329 0.89 MKNK1 (0.43) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2226944 0.89 CDK2 (0.43) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2229402 0.88 ADORA2B (0.45) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2228358 0.88 MKNK1 (0.52) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2228031 0.87 GSK3B (0.57) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2228210 0.87 GSK3B (0.53) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2228582 0.87 MKNK2 (0.44) CDK2CDK4MKNK1MKNK2GSK3B
SCHEMBL2228389 0.85 MKNK1 (0.46) CDK2CDK4MKNK1MKNK2GSK3B

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 381/4885CDK4 405/4885MKNK1 332/4885

“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.