SCHEMBL2229894

SCHEMBL2229894

CC(C)n1cc(-c2ccnc(Nc3cc(Br)cc(C(N)=O)c3)n2)c2ccncc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 4/20 0.44
KCNH2 Q12809 2/20 0.44
ACVR1 Q04771 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
GSK3B P49841 2/20 0.42
CDK4 P11802 2/20 0.42
DYRK1A Q13627 3/20 0.41
CDK9 P50750 2/20 0.41
CCNT1 O60563 1/20 0.41
NFATC1 O95644 1/20 0.41
CCND1 P24385 2/20 0.40
CDK6 Q00534 2/20 0.40
EGFR P00533 4/20 0.39
BRD4 O60885 1/20 0.39
MAPK8 P45983 1/20 0.38
MAPK10 P53779 1/20 0.38
DYRK3 O43781 1/20 0.38
IGF1R P08069 1/20 0.38
CLK1 P49759 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
SCHEMBL2230864 0.92 MKNK1 (0.43) CDK2MKNK1MKNK2GSK3BCDK4
SCHEMBL2228842 0.91 MKNK1 (0.46) CDK2MKNK1MKNK2GSK3BCDK4
SCHEMBL2227078 0.91 CDK2 (0.45) CDK2KCNH2MKNK1MKNK2GSK3B
SCHEMBL2231152 0.90 CDK2 (0.47) CDK2KCNH2ACVR1MKNK1MKNK2
SCHEMBL2228005 0.89 GSK3B (0.49) CDK2MKNK1MKNK2GSK3BCDK4
SCHEMBL2226906 0.88 MKNK1 (0.51) CDK2KCNH2ACVR1MKNK1MKNK2
SCHEMBL2229775 0.88 MKNK1 (0.47) CDK2KCNH2MKNK1MKNK2GSK3B
SCHEMBL2228336 0.87 GSK3B (0.45) CDK2KCNH2ACVR1MKNK1MKNK2
SCHEMBL2227901 0.87 CDK2 (0.57) CDK2KCNH2ACVR1MKNK1MKNK2
SCHEMBL2227667 0.87 CDK2 (0.42) CDK2KCNH2ACVR1MKNK1MKNK2

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 6 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
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 381/4885KCNH2 757/4885ACVR1 638/4885

“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.