SCHEMBL2228876

SCHEMBL2228876

CNC(=O)c1cc(Cl)cc(Nc2nccc(-c3cn(C(C)C)c4cnccc34)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.45
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
CDK4 P11802 2/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
NFATC1 O95644 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
SYK P43405 2/20 0.41
SCN9A Q15858 1/20 0.41
CCND1 P24385 2/20 0.40
CDK6 Q00534 2/20 0.40
CDKL1 Q00532 1/20 0.40
KCNH2 Q12809 1/20 0.40
NTRK1 P04629 4/20 0.38
CAMK2D Q13557 1/20 0.38

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
SCHEMBL2228832 0.94 CDK2 (0.48) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2229567 0.91 CAMK2D (0.43) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2227078 0.90 CDK2 (0.45) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2229617 0.88 CDK2 (0.52) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2231144 0.88 STK17A (0.47) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2228413 0.88 GSK3B (0.44) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2229247 0.88 CDK2 (0.58) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2226903 0.82 ABL1 (0.53) CDK2MKNK1MKNK2CDK4CDK9
SCHEMBL2226944 0.82 CDK2 (0.43) CDK2MKNK1MKNK2CDK4CCNT1
SCHEMBL2227733 0.82 GSK3B (0.50) CDK2MKNK1MKNK2CDK4CCNT1

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 CDK2 381/4885MKNK1 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.