SCHEMBL243584

SCHEMBL243584

CC(C)(C)OC(=O)CC(=O)N(C(=O)OC(C)(C)C)c1cc(N)nc(N2CCOCC2)n1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.41
PIK3R1 P27986 12/20 0.41
PIK3CD O00329 2/20 0.38
PIK3CB P42338 2/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
MAPK1 P28482 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL3328811 0.90 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBMAPK1
SCHEMBL244726 0.77 PIK3CA (0.40) PIK3CAPIK3R1KCNQ3KCNQ2MAPK1
SCHEMBL14803578 0.76 ADORA2A (0.47) PIK3CAPIK3R1PIK3CDPIK3CBKCNQ3
SCHEMBL243285 0.74 PIK3CA (0.40) PIK3CAPIK3R1MTOR
SCHEMBL3108283 0.72 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDPIK3CBMAPK1
SCHEMBL243583 0.69 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBKCNQ3
SCHEMBL3118679 0.67 PIK3R1 (0.41) PIK3CAPIK3R1PIK3CDPIK3CB
SCHEMBL1458406 0.66 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL3994283 0.65 LMNA (0.41) PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3342182 0.65 GPR119 (0.41) PIK3CAMTOR

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
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US disclosed
WO-2012003264-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS AMGEN INC. (US) 2012-01-05 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 (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-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CA 26/4885PIK3R1 56/4885PIK3CD 25/4885

“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.