SCHEMBL243055

SCHEMBL243055

COc1cncc(-c2cnc(N3CCOCC3)nc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.56
PIK3CA P42336 16/20 0.45
USP2 O75604 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HIF1A Q16665 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
BCL6 P41182 1/20 0.38
PIK3CB P42338 4/20 0.38
PIK3CG P48736 3/20 0.38
CYP2C9 P11712 1/20 0.37
PIK3R1 P27986 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
SCHEMBL249060 0.88 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL3778350 0.86 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2713399 0.86 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL244881 0.86 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2712580 0.84 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL13019399 0.83 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL2711750 0.83 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL241524 0.82 PIK3CD (0.54) PIK3CDPIK3CAUSP2HIF1AALDH1A1
SCHEMBL246156 0.82 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL242110 0.81 PIK3CD (0.61) PIK3CDPIK3CAUSP2CASP1CASP7

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-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
US-20130079342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. 2013-03-28 US 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
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 PIK3CD 25/4885PIK3CA 26/4885USP2 1640/4885

“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.