SCHEMBL243583

SCHEMBL243583

CC(C)(C)OC(=O)C(C(=O)Nc1cc(N)nc(N2CCOCC2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.43
PIK3R1 P27986 11/20 0.43
PIK3CD O00329 2/20 0.43
PIK3CB P42338 2/20 0.43
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MTOR P42345 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL244434 0.78 ADORA2A (0.56) PIK3CAPIK3R1GAAKDM4EALDH1A1
SCHEMBL3328811 0.73 PIK3CA (0.43) PIK3CAPIK3R1PIK3CDPIK3CBKDM4E
SCHEMBL16840722 0.71 ALDH1A1 (0.70) PIK3CAPIK3R1GAAKDM4EALDH1A1
SCHEMBL14803578 0.69 ADORA2A (0.47) PIK3CAPIK3R1PIK3CDPIK3CBKCNQ3
SCHEMBL243584 0.69 PIK3CA (0.41) PIK3CAPIK3R1PIK3CDPIK3CBKCNQ3
SCHEMBL1458406 0.68 PIK3CA (0.54) PIK3CAPIK3R1PIK3CDPIK3CBGAA
SCHEMBL3108283 0.67 PIK3CA (0.42) PIK3CAPIK3R1PIK3CDPIK3CBSMN1; SMN2
SCHEMBL30234299 0.66 LMNA (0.65) PIK3CAGAAKDM4EALDH1A1MTOR
SCHEMBL3988105 0.65 ALDH1A1 (0.53) PIK3CAPIK3R1PIK3CDPIK3CBKDM4E
SCHEMBL7015054 0.65 POLB (0.42) PIK3CAPIK3R1KDM4EALDH1A1MEN1

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-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
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 PIK3CA 26/4885PIK3R1 56/4885PIK3CD 25/4885

“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.