SCHEMBL248333

SCHEMBL248333

COc1ccc(-c2cnc(C3=CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)cn1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.53
PIK3CA P42336 13/20 0.43
PIK3CB P42338 5/20 0.38
PIK3CG P48736 5/20 0.38
BRD4 O60885 1/20 0.35
PIK3R1 P27986 3/20 0.33
MAPK1 P28482 2/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
MAPK14 Q16539 1/20 0.32
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL245611 0.93 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL247235 0.85 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711322 0.83 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL2711449 0.82 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2733686 0.82 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2712243 0.79 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGBRD4
SCHEMBL2712411 0.79 PIK3CD (0.80) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL3406305 0.78 PIK3CD (0.49) PIK3CDPIK3CABRD4MAPK1
SCHEMBL2711701 0.78 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2711258 0.78 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGBRD4

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 PIK3CD 24/4885PIK3CA 28/4885PIK3CB 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.