SCHEMBL2229939

SCHEMBL2229939

COC(=O)c1ccc(Nc2nccc(-c3cn(C(C)C)c4cnccc34)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
CDK2 P24941 6/20 0.45
KCNH2 Q12809 2/20 0.45
GSK3B P49841 4/20 0.45
NFATC1 O95644 1/20 0.45
DYRK1A Q13627 1/20 0.45
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
SRC P12931 1/20 0.45
EGFR P00533 2/20 0.44
CCND1 P24385 2/20 0.44
CDK6 Q00534 2/20 0.44
SYK P43405 1/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CDK4 P11802 2/20 0.43
AURKA O14965 1/20 0.43
CAMK2D Q13557 1/20 0.43
NEK3 P51956 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
SCHEMBL2227901 0.90 CDK2 (0.57) MKNK1MKNK2CDK2KCNH2GSK3B
SCHEMBL2227450 0.89 ABL1 (0.60) MKNK1MKNK2CDK2GSK3BNFATC1
SCHEMBL2229247 0.89 CDK2 (0.58) MKNK1MKNK2CDK2KCNH2GSK3B
SCHEMBL2229891 0.88 CDK2 (0.58) MKNK1MKNK2CDK2KCNH2GSK3B
SCHEMBL2352742 0.88 MKNK1 (0.49) MKNK1MKNK2CDK2GSK3BNFATC1
SCHEMBL2228842 0.88 MKNK1 (0.46) MKNK1MKNK2CDK2GSK3BNFATC1
SCHEMBL2230302 0.87 MKNK1 (0.55) MKNK1MKNK2CDK2DYRK1AABL1
SCHEMBL2229727 0.86 MKNK1 (0.59) MKNK1MKNK2CDK2GSK3BNFATC1
SCHEMBL2228372 0.86 GSK3B (0.50) MKNK1MKNK2CDK2GSK3BNFATC1
SCHEMBL12444954 0.85 GSK3B (0.51) MKNK1MKNK2CDK2GSK3BNFATC1

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 181/4885CDK2 381/4885

“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.