SCHEMBL2230231

SCHEMBL2230231

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 2/20 0.47
CDK2 P24941 3/20 0.47
KCNH2 Q12809 2/20 0.47
ABL1 P00519 5/20 0.46
BCR P11274 5/20 0.46
SRC P12931 4/20 0.46
PRKCA P17252 4/20 0.46
CDK9 P50750 2/20 0.44
CCNT1 O60563 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
SYK P43405 1/20 0.43
STK17A Q9UEE5 1/20 0.43
GSK3B P49841 2/20 0.43
CDK4 P11802 1/20 0.43
EGFR P00533 1/20 0.42
BRD4 O60885 1/20 0.42
DYRK1A Q13627 2/20 0.42
PRKCD Q05655 3/20 0.42
PDGFRB P09619 2/20 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
SCHEMBL2227237 0.90 ABL1 (0.57) CDK2ABL1BCRSRCPRKCA
SCHEMBL2229775 0.90 MKNK1 (0.47) CDK2KCNH2ABL1BCRSRC
SCHEMBL2229891 0.89 CDK2 (0.58) CDK2KCNH2CDK9CCNT1MKNK1
SCHEMBL2227450 0.89 ABL1 (0.60) CDK2ABL1BCRSRCPRKCA
SCHEMBL2231144 0.89 STK17A (0.47) CDK2ABL1BCRSRCPRKCA
SCHEMBL2229790 0.86 ABL1 (0.50) CDK2ABL1BCRSRCPRKCA
SCHEMBL2227951 0.85 DYRK1A (0.47) CDK2ABL1BCRCDK9CCNT1
SCHEMBL2227731 0.85 MKNK1 (0.51) CDK2ABL1BCRCDK9CCNT1
SCHEMBL2227344 0.84 DYRK1A (0.57) CDK2ABL1BCRSRCCDK9
SCHEMBL2227692 0.83 SLC2A1 (0.46) CDK2ABL1CDK9CCNT1MKNK1

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 4 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
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 EPHB4 4220/4885CDK2 381/4885KCNH2 757/4885

“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.