SCHEMBL2227237

SCHEMBL2227237

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.57
BCR P11274 4/20 0.57
PRKCA P17252 3/20 0.57
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
IKBKB O14920 1/20 0.48
SRC P12931 3/20 0.48
CAMK2D Q13557 3/20 0.47
CDK9 P50750 2/20 0.46
CCNT1 O60563 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
GSK3B P49841 3/20 0.46
MAPK8 P45983 1/20 0.46
PIK3CG P48736 1/20 0.46
CAMKK2 Q96RR4 1/20 0.46
STK17A Q9UEE5 1/20 0.45
PDGFRB P09619 2/20 0.45
PDGFRA P16234 2/20 0.45
PRKCD Q05655 2/20 0.45

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
SCHEMBL2229775 0.92 MKNK1 (0.47) ABL1BCRPRKCASRCCDK9
SCHEMBL2231144 0.91 STK17A (0.47) ABL1BCRPRKCASRCCAMK2D
SCHEMBL2227450 0.91 ABL1 (0.60) ABL1BCRPRKCASRCCAMK2D
SCHEMBL2230231 0.90 EPHB4 (0.47) ABL1BCRPRKCASRCCDK9
SCHEMBL2229790 0.88 ABL1 (0.50) ABL1BCRPRKCASRCCDK9
SCHEMBL2229567 0.88 CAMK2D (0.43) ABL1BCRPRKCACAMK2DCDK9
SCHEMBL2230864 0.88 MKNK1 (0.43) ABL1BCRPRKCACAMK2DCDK9
SCHEMBL2227731 0.87 MKNK1 (0.51) ABL1BCRCDK9CCNT1MKNK1
SCHEMBL2229089 0.87 CDK9 (0.44) ABL1BCRPRKCACAMK2DCDK9
SCHEMBL2227770 0.86 GSK3B (0.53) ABL1PRKCACDK9CCNT1MKNK1

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 ABL1 282/4885BCR 1594/4885PRKCA 2199/4885

“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.