SCHEMBL14633486

SCHEMBL14633486

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
GRM4 Q14833 1/20 0.38
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALOX5AP P20292 6/20 0.37
FEN1 P39748 6/20 0.37
SGK1 O00141 7/20 0.37
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34

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
SCHEMBL14633930 0.92 PIK3CA (0.42) PIK3CAGRM4GSK3AGSK3BALOX5AP
SCHEMBL2470683 0.91 GSK3A (0.39) PIK3CAGSK3AGSK3BALOX5APFEN1
SCHEMBL2468125 0.86 PIK3CA (0.39) PIK3CAGRM4GSK3AGSK3BALOX5AP
SCHEMBL14633953 0.81 SGK1 (0.42) PIK3CAGRM4SGK1PIK3CDPIK3CB
SCHEMBL14634007 0.80 PIK3CA (0.39) PIK3CAGSK3AGSK3BALOX5APFEN1
SCHEMBL14634078 0.79 DHFR (0.34) PIK3CAGSK3AGSK3BALOX5APFEN1
SCHEMBL2466560 0.78 PIK3CA (0.39) PIK3CAGRM4GSK3AGSK3BALOX5AP
SCHEMBL14633983 0.74 ALOX5AP (0.44) GSK3BALOX5APFEN1SGK1NR1H2
SCHEMBL14633669 0.73 PIK3CA (0.38) PIK3CAGSK3AGSK3BALOX5APFEN1
SCHEMBL14633800 0.73 NR1H2 (0.49) ALOX5APFEN1NR1H2NR1H3

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-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
US-20130023532-A1 INDAZOLYL-PYRIMIDINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2013-01-24 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 (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 PIK3CA 78/4885GRM4 4019/4885GSK3A 644/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 PIK3CA 99/4885GRM4 3206/4885GSK3A 592/4885

“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.