SCHEMBL2470683

SCHEMBL2470683

Cc1cnc2[nH]nc(Nc3nc(N)ncc3-c3ccc(C)c(S(C)(=O)=O)c3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
PIK3CA P42336 1/20 0.37
DHFR P00374 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
BRAF P15056 1/20 0.33
ALOX5AP P20292 2/20 0.33
FEN1 P39748 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14633486 0.91 PIK3CA (0.41) GSK3AGSK3BPIK3CANR1H2NR1H3
SCHEMBL14634078 0.88 DHFR (0.34) GSK3AGSK3BPIK3CADHFRNR1H2
SCHEMBL14633930 0.82 PIK3CA (0.42) GSK3AGSK3BPIK3CANR1H2NR1H3
SCHEMBL14633799 0.81 FADS1 (0.40) DHFRBRAFMAPTPDGFRBFGFR1
SCHEMBL14633983 0.81 ALOX5AP (0.44) GSK3BNR1H2NR1H3ALOX5APFEN1
SCHEMBL14633800 0.80 NR1H2 (0.49) NR1H2NR1H3ALOX5APFEN1LCK
SCHEMBL14634007 0.80 PIK3CA (0.39) GSK3AGSK3BPIK3CAALOX5APFEN1
SCHEMBL2468125 0.77 PIK3CA (0.39) GSK3AGSK3BPIK3CANR1H2NR1H3
SCHEMBL2439399 0.73 DHFR (0.59) DHFRNR1H2NR1H3BRAFALOX5AP
SCHEMBL14633953 0.71 SGK1 (0.42) PIK3CASGK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US claimed
EP-2552211-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-02-06 EP disclosed
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 US disclosed
WO-2011120025-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-09-29 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 (2 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-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS MAP3K19, MAP3K1, MAP3K20 GSK3A 644/4885GSK3B 896/4885PIK3CA 78/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 GSK3A 592/4885GSK3B 710/4885PIK3CA 99/4885

“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.