SCHEMBL4508178

SCHEMBL4508178

CC(=O)Nc1cc(-c2cncc(NS(C)(=O)=O)c2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 4/20 0.48
PIP4K2B P78356 4/20 0.48
PIK3CB P42338 1/20 0.46
PIK3C3 Q8NEB9 7/20 0.46
DYRK1A Q13627 3/20 0.42
CYP11B2 P19099 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39
AOC3 Q16853 1/20 0.39
FYN P06241 1/20 0.36

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
SCHEMBL4511353 0.85 PIK3C3 (0.52) PIK3CBPIK3C3PIK3CDPIK3CAPIK3CG
SCHEMBL4512813 0.81 ACLY (0.43) PIP4K2APIP4K2BPIK3C3PIK3CA
SCHEMBL4519803 0.81 PIK3CA (0.40) PIP4K2APIP4K2BPIK3CBPIK3C3DYRK1A
SCHEMBL3972385 0.79 ADORA2A (0.37) PIK3C3DYRK1APIK3CGAOC3
SCHEMBL3972288 0.79 PTGS2 (0.38) PIK3C3PIK3CGAOC3
SCHEMBL4506432 0.75 RAB9A (0.40) PIK3C3
SCHEMBL4506437 0.74 HCRTR1 (0.33) PIK3C3DYRK1A
SCHEMBL10369 0.74 CYP1A2 (0.56) CYP11B2PIK3CAPIK3CG
SCHEMBL8212993 0.72 PIK3CA (0.54) PIP4K2APIP4K2BPIK3CBPIK3C3PIK3CD
SCHEMBL3973580 0.70 ADORA1 (0.37) PIK3C3AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS ASTRAZENECA AB (SE) 2009-05-07 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 (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-20090118336-A1 PYRAZOLE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS MTOR, RICTOR, PIK3R5 PIP4K2A 40/4885PIP4K2B 35/4885PIK3CB 16/4885

“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.