SCHEMBL14634007

SCHEMBL14634007

Cc1cc(-c2cnc(N)nc2Nc2n[nH]c3ncc(F)cc23)cc(S(C)(=O)=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.39
GSK3A P49840 5/20 0.35
GSK3B P49841 5/20 0.35
MAPK14 Q16539 1/20 0.32
SRC P12931 2/20 0.31
PIK3CD O00329 2/20 0.31
PIK3CG P48736 2/20 0.31
JAK2 O60674 1/20 0.31
ROCK2 O75116 1/20 0.31
PRKACA P17612 1/20 0.31
KDR P35968 1/20 0.31
FLT3 P36888 1/20 0.31
ROCK1 Q13464 1/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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 0.86 PIK3CA (0.42) PIK3CAGSK3AGSK3BMAPK14PIK3CD
SCHEMBL14633669 0.80 PIK3CA (0.38) PIK3CAGSK3AGSK3BMAPK14SRC
SCHEMBL14633486 0.80 PIK3CA (0.41) PIK3CAGSK3AGSK3BPIK3CDPIK3CG
SCHEMBL2470683 0.80 GSK3A (0.39) PIK3CAGSK3AGSK3BMAPK14SRC
SCHEMBL14633761 0.77 RIPK2 (0.36) PIK3CAGSK3AGSK3BMAPK14SRC
SCHEMBL14634078 0.75 DHFR (0.34) PIK3CAGSK3AGSK3BMAPK14KDR
SCHEMBL2514189 0.73 RIPK2 (0.45) PIK3CAGSK3AGSK3BMAPK14ROCK1
SCHEMBL2466560 0.73 PIK3CA (0.39) PIK3CAGSK3AGSK3BMAPK14ALOX5AP
SCHEMBL14634025 0.73 RIPK2 (0.49) PIK3CAGSK3AGSK3BMAPK14ROCK1
SCHEMBL2516402 0.72 EPHB4 (0.39) JAK2KDRNPC1RAB9ARIPK2

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 78/4885GSK3A 644/4885GSK3B 896/4885
US-20130023534-A1 PYRAZOLYL-PYRIMIDINES AS KINASE INHIBITORS CDK2, MAP3K19, MAP3K1 PIK3CA 99/4885GSK3A 592/4885GSK3B 710/4885

“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.