SCHEMBL243285

SCHEMBL243285

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cc(C#N)nc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
POLB P06746 1/20 0.39
CTSD P07339 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
CYP1A2 P05177 1/20 0.39
PIK3R1 P27986 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MTOR P42345 1/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 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
SCHEMBL31086578 0.83 MEN1 (0.40) PIK3CAALDH1A1LMNACTSLHTT
SCHEMBL244726 0.83 PIK3CA (0.40) PIK3CAALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL3328811 0.83 PIK3CA (0.43) PIK3CAHTTPIK3R1MTORKDM4E
SCHEMBL14803578 0.80 ADORA2A (0.47) PIK3CAALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL243584 0.74 PIK3CA (0.41) PIK3CAPIK3R1MTOR
SCHEMBL3342182 0.70 GPR119 (0.41) PIK3CAGPR119SMN1; SMN2MTOR
SCHEMBL10847885 0.70 KMT2A (0.62) ALDH1A1LMNASMN1; SMN2HPGDHTT
SCHEMBL3344414 0.70 ALDH1A1 (0.39) PIK3CAALDH1A1LMNAGAAGPR119
SCHEMBL3994283 0.69 LMNA (0.41) PIK3CAALDH1A1LMNAPOLBHTT
SCHEMBL31518426 0.68 GPR119 (0.56) PIK3CAALDH1A1GPR119HPGDMEN1

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 5 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

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 26/4885ALDH1A1 3609/4885LMNA 2557/4885

“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.