SCHEMBL248432

SCHEMBL248432

COc1ccc(-c2cnc(C3=CCOCC3)cc2N)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
PIK3CD O00329 6/20 0.49
PIK3CB P42338 6/20 0.49
PIK3CG P48736 6/20 0.49
PIK3R1 P27986 5/20 0.41
BACE1 P56817 2/20 0.39
KCNH2 Q12809 2/20 0.38
MTOR P42345 2/20 0.38
FYN P06241 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
CYP2A6 P11509 1/20 0.37
CTSD P07339 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
GCK P35557 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
SCHEMBL248433 0.87 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL248528 0.80 GCK (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL248529 0.75 GCK (0.40) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL246130 0.72 LRRK2 (0.50) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL247317 0.71 KCNH2 (0.47) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL2712163 0.68 FYN (0.53) PIK3CAPIK3CDPIK3CBPIK3CGKCNH2
SCHEMBL15507834 0.67 ALDH1A1 (0.54) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL30559722 0.67 NPC1 (0.48) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL26977916 0.67 NPC1 (0.48) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL10008830 0.66 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885PIK3CD 24/4885PIK3CB 40/4885

“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.