SCHEMBL2229962

SCHEMBL2229962

CC(C)n1cc(-c2ccnc(Nc3cccc(-c4ccccc4)c3)n2)c2ccncc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.50
MKNK2 Q9HBH9 1/20 0.50
CAMK2D Q13557 1/20 0.48
GSK3B P49841 6/20 0.48
DYRK1A Q13627 2/20 0.48
NFATC1 O95644 1/20 0.48
SYK P43405 4/20 0.48
MAPK8 P45983 2/20 0.48
PIK3CG P48736 2/20 0.48
CAMKK2 Q96RR4 2/20 0.48
CDK9 P50750 2/20 0.46
BRD4 O60885 1/20 0.46
FLT3 P36888 1/20 0.45
ABL1 P00519 4/20 0.45
BCR P11274 3/20 0.45
PRKCA P17252 3/20 0.45
PRKCD Q05655 2/20 0.45
EGFR P00533 1/20 0.45
CCNT1 O60563 1/20 0.44
CDK2 P24941 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
SCHEMBL2227770 0.91 GSK3B (0.53) MKNK1MKNK2GSK3BDYRK1ANFATC1
SCHEMBL2227344 0.88 DYRK1A (0.57) MKNK1MKNK2CAMK2DGSK3BDYRK1A
SCHEMBL2228335 0.88 MKNK1 (0.52) MKNK1MKNK2GSK3BDYRK1ANFATC1
SCHEMBL2227731 0.87 MKNK1 (0.51) MKNK1MKNK2GSK3BDYRK1ANFATC1
SCHEMBL2226903 0.87 ABL1 (0.53) MKNK1MKNK2CAMK2DGSK3BDYRK1A
SCHEMBL2229592 0.87 MKNK1 (0.49) MKNK1MKNK2GSK3BDYRK1ANFATC1
SCHEMBL2226553 0.87 MKNK1 (0.49) MKNK1MKNK2CAMK2DGSK3BDYRK1A
SCHEMBL13425095 0.87 ABL1 (0.55) MKNK1MKNK2CAMK2DGSK3BDYRK1A
SCHEMBL2227237 0.86 ABL1 (0.57) MKNK1MKNK2CAMK2DGSK3BDYRK1A
SCHEMBL2226847 0.86 GSK3B (0.51) MKNK1MKNK2GSK3BDYRK1ANFATC1

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 MKNK1 332/4885MKNK2 181/4885CAMK2D 1395/4885

“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.