SCHEMBL2228336

SCHEMBL2228336

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.45
AURKA O14965 4/20 0.43
SYK P43405 1/20 0.43
CDK2 P24941 8/20 0.42
KCNH2 Q12809 2/20 0.42
CDK4 P11802 5/20 0.42
STK16 O75716 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
NFATC1 O95644 1/20 0.39
DYRK1A Q13627 1/20 0.39
ACVR1 Q04771 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
SCHEMBL2229685 0.93 GSK3B (0.46) GSK3BAURKASYKCDK2CDK4
SCHEMBL2228413 0.91 GSK3B (0.44) GSK3BSYKCDK2KCNH2CDK4
SCHEMBL2231152 0.88 CDK2 (0.47) GSK3BSYKCDK2KCNH2CDK4
SCHEMBL2229741 0.88 NTRK1 (0.43) GSK3BCDK2KCNH2CDK4CLK1
SCHEMBL2229894 0.87 CDK2 (0.44) GSK3BCDK2KCNH2CDK4CLK1
SCHEMBL2226906 0.86 MKNK1 (0.51) GSK3BSYKCDK2KCNH2CDK4
SCHEMBL2229775 0.85 MKNK1 (0.47) GSK3BCDK2KCNH2CDK4MKNK1
SCHEMBL2227901 0.85 CDK2 (0.57) GSK3BCDK2KCNH2CDK4MKNK1
SCHEMBL2227667 0.85 CDK2 (0.42) GSK3BAURKACDK2KCNH2CDK4
SCHEMBL2226613 0.84 CDK2 (0.56) GSK3BAURKASYKCDK2CDK4

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 7 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 claimed
WO-2010042337-A1 NOVEL 6-AZAINDOLE AMINOPYRIMIDINE DERIVATIVES HAVING NIK INHIBITORY ACTIVITY MERCK SHARP & DOHME CORP. (US) 2010-04-15 WO claimed
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
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 2618/4885AURKA 1273/4885SYK 1860/4885

“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.