SCHEMBL2227692

SCHEMBL2227692

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.46
CDK9 P50750 9/20 0.45
CCNT1 O60563 7/20 0.45
CDK1 P06493 7/20 0.45
CCNB1 P14635 6/20 0.45
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
CDK7 P50613 2/20 0.45
CCNH P51946 2/20 0.45
CCNA1 P78396 2/20 0.45
GSK3B P49841 2/20 0.44
AURKA O14965 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
LCK P06239 1/20 0.44
MET P08581 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL2230269 0.90 CDK9 (0.55) SLC2A1CDK9CCNT1CDK1CCNB1
SCHEMBL2228483 0.90 SLC2A1 (0.58) SLC2A1CDK9CCNT1CDK1CCNB1
SCHEMBL2226212 0.90 TNNI3K (0.50) SLC2A1CDK9CCNT1CDK1CCNB1
SCHEMBL2227951 0.85 DYRK1A (0.47) CDK9CCNT1CDK2GSK3BABL1
SCHEMBL2229962 0.84 MKNK1 (0.50) CDK9CCNT1CDK2GSK3BABL1
SCHEMBL2227315 0.84 IKBKB (0.51) IKBKB
SCHEMBL2227344 0.84 DYRK1A (0.57) CDK9CCNT1CDK1CCNB1CDK2
SCHEMBL2230231 0.83 EPHB4 (0.47) CDK9CCNT1CDK2GSK3BABL1
SCHEMBL2229592 0.83 MKNK1 (0.49) CDK9CCNT1CDK1CCNB1CDK2
SCHEMBL2226553 0.83 MKNK1 (0.49) CDK9CCNT1CDK2GSK3BABL1

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 SLC2A1 4749/4885CDK9 428/4885CCNT1 299/4885

“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.