SCHEMBL248529

SCHEMBL248529

COc1cncc(-c2cnc(C3=CCOCC3)cc2N)c1N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.40
PIK3CA P42336 12/20 0.37
PIK3CD O00329 7/20 0.37
PIK3CB P42338 7/20 0.37
PIK3CG P48736 7/20 0.37
PIK3R1 P27986 6/20 0.37
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
SUV39H2 Q9H5I1 2/20 0.35
PDE10A Q9Y233 1/20 0.34
MTOR P42345 4/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
DYRK1A Q13627 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
SCHEMBL248433 0.82 PIK3CA (0.44) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL248528 0.80 GCK (0.46) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL248432 0.75 PIK3CA (0.49) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL248192 0.74 LRRK2 (0.39) GCKPIK3CACDK9MTOR
SCHEMBL248167 0.72 PIK3CA (0.46) PIK3CAPDE10AMTOR
SCHEMBL248398 0.71 DHFR (0.37) PDE10ADYRK1A
SCHEMBL24869132 0.67 CDC7 (0.38) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL26162653 0.66 CDC7 (0.36) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30068220 0.65 PIK3CA (0.40) GCKPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL26647381 0.65 PIK3CA (0.40) GCKPIK3CAPIK3CDPIK3CBPIK3CG

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-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
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.