SCHEMBL245060

SCHEMBL245060

CC(=O)Nc1nc(N2CCOCC2)nc(N)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
PDE10A Q9Y233 1/20 0.44
GAA P10253 3/20 0.44
MAPT P10636 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
PIK3CA P42336 4/20 0.42
POLB P06746 1/20 0.42
PIK3CG P48736 2/20 0.42
MAPK1 P28482 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MTOR P42345 2/20 0.42
PIK3R1 P27986 1/20 0.42
PTGS2 P35354 1/20 0.41

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
SCHEMBL3282342 0.88 SRC (0.47) SRCKDM4EHTTGAAMAPT
SCHEMBL244054 0.82 ALDH1A1 (0.43) SRCKDM4EHTTGAAMAPT
SCHEMBL244434 0.73 ADORA2A (0.56) SRCKDM4EHTTGAAMAPT
SCHEMBL9626177 0.69 GAA (0.54) SRCKDM4EHTTGAAMAPT
SCHEMBL13650782 0.69 NUDT1 (0.51) KDM4EHTTGAAMAPTALDH1A1
SCHEMBL8607492 0.69 KDM4E (0.57) KDM4EHTTGAAALDH1A1KMT2A
SCHEMBL1311610 0.67 PIK3CA (0.77) GAAMAPTPIK3CAPIK3CGMTOR
SCHEMBL13312207 0.66 KDM4E (0.69) KDM4EHTTGAAALDH1A1KMT2A
SCHEMBL9619063 0.66 KDM4E (0.52) KDM4EGAAMAPTALDH1A1KMT2A
SCHEMBL1311088 0.66 PIK3CA (0.62) GAAMAPTPIK3CAPIK3CGMTOR

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 SRC 131/4885KDM4E 1400/4885HTT 1241/4885

“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.