SCHEMBL2228031

SCHEMBL2228031

CC(C)n1cc(-c2ccnc(Nc3cccc(C#N)c3)n2)c2ccncc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.57
DYRK1A Q13627 5/20 0.57
CDK4 P11802 4/20 0.57
CDK2 P24941 4/20 0.57
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
SMG1 Q96Q15 1/20 0.46
SYK P43405 3/20 0.45
BRD4 O60885 2/20 0.45
NFATC1 O95644 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
BCR P11274 1/20 0.42
PDGFRA P16234 1/20 0.42
PRKCA P17252 1/20 0.42

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
SCHEMBL2229802 0.92 MKNK1 (0.47) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2229402 0.90 ADORA2B (0.45) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2228389 0.89 MKNK1 (0.46) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2228210 0.89 GSK3B (0.53) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2228014 0.88 CDK2 (0.45) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2226944 0.87 CDK2 (0.43) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2229329 0.87 MKNK1 (0.43) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2230002 0.87 CDK2 (0.43) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2227344 0.87 DYRK1A (0.57) GSK3BDYRK1ACDK4CDK2MKNK1
SCHEMBL2228358 0.86 MKNK1 (0.52) GSK3BDYRK1ACDK4CDK2MKNK1

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 3 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

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 GSK3B 2618/4885DYRK1A 1517/4885CDK4 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.