SCHEMBL248528

SCHEMBL248528

COc1cncc(-c2cnc(C3=CCOCC3)cc2N)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.46
PIK3CA P42336 10/20 0.39
PIK3CD O00329 9/20 0.39
PIK3CB P42338 9/20 0.39
PIK3CG P48736 9/20 0.39
PIK3R1 P27986 8/20 0.39
PDE10A Q9Y233 1/20 0.38
BACE1 P56817 3/20 0.37
CTSD P07339 2/20 0.37
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CYP11B2 P19099 3/20 0.35
CYP11B1 P15538 2/20 0.35
ABL1 P00519 1/20 0.34
CYP17A1 P05093 1/20 0.34

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 0.80 PIK3CA (0.44) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL248432 0.80 PIK3CA (0.49) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL248529 0.80 GCK (0.40) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL248191 0.74 ZAP70 (0.42) GCKBACE1CTSDPIM1PIM3
SCHEMBL248166 0.72 ATR (0.49) PIK3CAPDE10A
SCHEMBL248397 0.71 CYP11B1 (0.48) BACE1PIM1PIM3PIM2CYP11B2
SCHEMBL31398152 0.68 MAPK14 (0.41) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL246485 0.67 GAK (0.39) BACE1PIM1PIM3PIM2CYP11B2
SCHEMBL2712585 0.66 CYP11B2 (0.46) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL14849212 0.66 PDE10A (0.39) PDE10APIM2CYP11B2CYP11B1CYP17A1

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 GCK 3916/4885PIK3CA 28/4885PIK3CD 24/4885

“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.