SCHEMBL2227667

SCHEMBL2227667

CC(C)n1cc(-c2ccnc(Nc3cc(C(N)=O)cc([N+](=O)[O-])c3)n2)c2ccncc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 8/20 0.42
GSK3B P49841 6/20 0.42
CDK4 P11802 6/20 0.42
SLC2A1 P11166 1/20 0.42
KCNH2 Q12809 2/20 0.42
ABL1 P00519 4/20 0.41
BCR P11274 3/20 0.41
PRKCA P17252 3/20 0.41
CCNT1 O60563 3/20 0.41
CDK9 P50750 3/20 0.41
EGFR P00533 2/20 0.41
SRC P12931 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
ACVR1 Q04771 1/20 0.39
NFATC1 O95644 1/20 0.39
DYRK1A Q13627 1/20 0.39
CCND1 P24385 3/20 0.38
CDK6 Q00534 2/20 0.38
PIK3CA P42336 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
SCHEMBL2231152 0.88 CDK2 (0.47) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2229894 0.87 CDK2 (0.44) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2226906 0.85 MKNK1 (0.51) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2229775 0.85 MKNK1 (0.47) CDK2GSK3BCDK4KCNH2ABL1
SCHEMBL2228336 0.85 GSK3B (0.45) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2227901 0.84 CDK2 (0.57) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2229741 0.83 NTRK1 (0.43) CDK2GSK3BCDK4KCNH2ABL1
SCHEMBL2227809 0.82 CCND1 (0.47) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2228832 0.81 CDK2 (0.48) CDK2GSK3BCDK4KCNH2CCNT1
SCHEMBL2227747 0.80 MKNK1 (0.48) CDK2GSK3BCDK4KCNH2CCNT1

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 2 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

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 381/4885GSK3B 2618/4885CDK4 405/4885

“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.