SCHEMBL241043

SCHEMBL241043

CNC(=O)c1cc(Cl)cc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 2/20 0.57
NAPEPLD Q6IQ20 4/20 0.52
THRB P10828 3/20 0.44
MAPT P10636 3/20 0.44
ATR Q13535 1/20 0.44
ATRIP Q8WXE1 1/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAF1 P04049 1/20 0.42

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
SCHEMBL24766039 0.86 MAPT (0.47) PIK3CBNAPEPLDTHRBMAPTKMT2A
SCHEMBL24766030 0.85 KMT2A (0.47) PIK3CBTHRBMAPTKMT2ACYP1A2
SCHEMBL244072 0.84 PIK3CA (0.47) PIK3CBTHRBMAPTKMT2ACYP1A2
SCHEMBL29434078 0.84 PIK3CA (0.47) PIK3CBTHRBMAPTKMT2ACYP1A2
SCHEMBL242170 0.83 KMO (0.56) PIK3CBTHRBMAPTKMT2ACYP1A2
SCHEMBL29434113 0.80 SMN1; SMN2 (0.43) PIK3CBNAPEPLDMAPTKMT2AMEN1
SCHEMBL24766834 0.80 SMN1; SMN2 (0.43) PIK3CBNAPEPLDMAPTKMT2AMEN1
SCHEMBL29434180 0.78 GSK3B (0.47) PIK3CBTHRBMAPTKMT2ACYP1A2
SCHEMBL243488 0.78 PIK3CB (0.48) PIK3CBNAPEPLDMAPTKMT2ACYP1A2
SCHEMBL17204101 0.77 MAPT (0.61) PIK3CBMAPTKMT2ACYP1A2CYP2D6

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 12 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
EP-2588473-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS AS PIK3 -DELTA INHIBITORS Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 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
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
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO 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 (2 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 PIK3CB 44/4885NAPEPLD 127/4885THRB 2477/4885
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CB 40/4885NAPEPLD 139/4885THRB 2348/4885

“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.