SCHEMBL2229140

SCHEMBL2229140

CC(C)n1cc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c2ccncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 7/20 0.54
CDK1 P06493 7/20 0.54
CCNB1 P14635 7/20 0.54
CDK9 P50750 7/20 0.54
CDK2 P24941 6/20 0.54
CCNA2 P20248 3/20 0.54
CDK7 P50613 3/20 0.54
CCNH P51946 3/20 0.54
CCNA1 P78396 3/20 0.54
IKBKB O14920 8/20 0.51
GSK3B P49841 3/20 0.51
DKK1 O94907 2/20 0.51
MAPK8 P45983 2/20 0.50
MAPK10 P53779 1/20 0.50
CDK4 P11802 2/20 0.48
IGF1R P08069 1/20 0.48
CSNK2A2 P19784 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CCND3 P30281 1/20 0.46

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
SCHEMBL2227213 0.91 CDK2 (0.56) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2228483 0.89 SLC2A1 (0.58) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2229980 0.87 MKNK1 (0.48) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2228300 0.87 MTOR (0.47) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL13425118 0.87 GSK3B (0.50) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2230801 0.87 MKNK1 (0.47) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL12444954 0.86 GSK3B (0.51) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2229836 0.86 GSK3B (0.51) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2545739 0.85 CCNT1 (0.57) CCNT1CDK1CCNB1CDK9CDK2
SCHEMBL2228372 0.85 GSK3B (0.50) CCNT1CDK9CDK2CCNA2GSK3B

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 CCNT1 299/4885CDK1 344/4885CCNB1 809/4885

“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.