SCHEMBL4519803

SCHEMBL4519803

CC(=O)Nc1cc(-c2cncc(NS(=O)(=O)c3sc(C)nc3C)c2)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.40
AKT1 P31749 1/20 0.40
MTOR P42345 1/20 0.40
PIK3C3 Q8NEB9 3/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
RORA P35398 1/20 0.38
RORC P51449 1/20 0.38
RORB Q92753 1/20 0.38
KIT P10721 1/20 0.36
PRF1 P14222 1/20 0.35
DYRK1A Q13627 5/20 0.34
PIP4K2A P48426 1/20 0.33
PIP4K2B P78356 1/20 0.33
HSD11B1 P28845 1/20 0.33
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
DYRK2 Q92630 1/20 0.32
CLK4 Q9HAZ1 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
SCHEMBL4512813 0.82 ACLY (0.43) PIK3CAAKT1MTORPIK3C3PRF1
SCHEMBL4508178 0.81 PIP4K2A (0.48) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL4511353 0.79 PIK3C3 (0.52) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL4506432 0.73 RAB9A (0.40) PIK3C3CYP3A4ADORA2AADORA1
SCHEMBL3972288 0.70 PTGS2 (0.38) PIK3C3PIK3CGCLK4DYRK1BCYP3A4
SCHEMBL22447465 0.70 SLC22A12 (0.44) PIK3CAPIK3CDPIK3CBPIK3CGRORA
SCHEMBL3972385 0.70 ADORA2A (0.37) PIK3C3PIK3CGDYRK1ACLK4DYRK1B
SCHEMBL4506437 0.68 HCRTR1 (0.33) PIK3C3DYRK1ACYP3A4ADORA2AADORA1
SCHEMBL10369 0.66 CYP1A2 (0.56) PIK3CAPIK3CGCLK4DYRK1BCYP3A4
SCHEMBL22447437 0.64 ALPL (0.41) PIK3CAPIK3CDPIK3CBPIK3CGKIT

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 PIK3CA 4/4885AKT1 17/4885MTOR 1/4885

“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.