SCHEMBL2227951

SCHEMBL2227951

CC(C)n1cc(-c2ccnc(Nc3cccc(N(C)C)c3)n2)c2ccncc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
FLT3 P36888 2/20 0.46
JAK2 O60674 1/20 0.46
GSK3B P49841 5/20 0.45
NFATC1 O95644 1/20 0.45
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
CDK9 P50750 2/20 0.43
BRD4 O60885 1/20 0.43
EGFR P00533 2/20 0.43
CDK2 P24941 5/20 0.43
CCNT1 O60563 1/20 0.42
MAP3K5 Q99683 1/20 0.41
CDK4 P11802 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

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
SCHEMBL2229903 0.88 CDK2 (0.55) DYRK1AMKNK1MKNK2GSK3BNFATC1
SCHEMBL2227344 0.87 DYRK1A (0.57) DYRK1AMKNK1MKNK2GSK3BNFATC1
SCHEMBL2227731 0.87 MKNK1 (0.51) DYRK1AMKNK1MKNK2FLT3GSK3B
SCHEMBL13425095 0.87 ABL1 (0.55) DYRK1AMKNK1MKNK2FLT3GSK3B
SCHEMBL2226903 0.87 ABL1 (0.53) DYRK1AMKNK1MKNK2GSK3BNFATC1
SCHEMBL2229592 0.87 MKNK1 (0.49) DYRK1AMKNK1MKNK2FLT3GSK3B
SCHEMBL2226553 0.87 MKNK1 (0.49) DYRK1AMKNK1MKNK2FLT3GSK3B
SCHEMBL2227770 0.86 GSK3B (0.53) DYRK1AMKNK1MKNK2FLT3GSK3B
SCHEMBL2229962 0.86 MKNK1 (0.50) DYRK1AMKNK1MKNK2FLT3GSK3B
SCHEMBL2226847 0.85 GSK3B (0.51) DYRK1AMKNK1MKNK2GSK3BNFATC1

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 DYRK1A 1517/4885MKNK1 332/4885MKNK2 181/4885

“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.