SCHEMBL2227809

SCHEMBL2227809

CC(C)n1cc(-c2ccnc(Nc3cc(C(N)=O)ccn3)n2)c2ccncc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCND1 P24385 2/20 0.47
CDK6 Q00534 2/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CDK2 P24941 2/20 0.44
GSK3B P49841 2/20 0.44
KCNH2 Q12809 1/20 0.44
CDK4 P11802 1/20 0.44
NFATC1 O95644 1/20 0.43
DYRK1A Q13627 1/20 0.43
CCNT1 O60563 1/20 0.43
CDK9 P50750 1/20 0.43
NTRK1 P04629 12/20 0.41
ACVR1 Q04771 1/20 0.41

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
SCHEMBL2229775 0.88 MKNK1 (0.47) MKNK1MKNK2CDK2GSK3BKCNH2
SCHEMBL2227901 0.88 CDK2 (0.57) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2227980 0.87 CAMKK2 (0.49) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2227747 0.87 MKNK1 (0.48) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2230113 0.87 MKNK1 (0.50) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2231152 0.86 CDK2 (0.47) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2229894 0.85 CDK2 (0.44) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2228750 0.85 MKNK1 (0.56) MKNK1MKNK2CDK2DYRK1A
SCHEMBL2226906 0.84 MKNK1 (0.51) CCND1CDK6MKNK1MKNK2CDK2
SCHEMBL2228336 0.83 GSK3B (0.45) MKNK1MKNK2CDK2GSK3BKCNH2

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 CCND1 621/4885CDK6 159/4885MKNK1 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.