SCHEMBL248634

SCHEMBL248634

COc1cc(-c2cnc(N3CCOCC3)cc2N)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.48
TBK1 Q9UHD2 4/20 0.47
MAP4K1 Q92918 2/20 0.46
ALK Q9UM73 1/20 0.45
PDE10A Q9Y233 1/20 0.45
RET P07949 1/20 0.44
ERN1 O75460 1/20 0.44
PIK3CA P42336 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SUV39H2 Q9H5I1 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
GAK O14976 1/20 0.43
KIT P10721 1/20 0.43
LRRK2 Q5S007 2/20 0.42
PGR P06401 1/20 0.42
AR P10275 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
SCHEMBL246958 0.82 ALK (0.49) FYNMAP4K1ALKPDE10AERN1
SCHEMBL246130 0.78 LRRK2 (0.50) FYNMAP4K1PDE10AERN1PIK3CA
SCHEMBL246984 0.77 CYP2C19 (0.52) FYNMAP4K1ALKPDE10APIK3CA
SCHEMBL248414 0.77 LRRK2 (0.56) TBK1PIK3CALRRK2MTOR
SCHEMBL5564075 0.75 CYP2C19 (0.54) FYNMAP4K1ALKPDE10AERN1
SCHEMBL246131 0.74 CYP2C19 (0.59) ALKPDE10APIK3CAKDM4EALDH1A1
SCHEMBL248166 0.73 ATR (0.49) FYNALKPDE10APIK3CAKDM4E
SCHEMBL248167 0.73 PIK3CA (0.46) FYNMAP4K1ALKPDE10AERN1
SCHEMBL252272 0.73 ALK (0.47) TBK1MAP4K1ALKLRRK2
SCHEMBL5556512 0.72 RET (0.51) RETPIK3CAKDM4EALDH1A1HTT

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-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY 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
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 (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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 FYN 369/4885TBK1 351/4885MAP4K1 775/4885

“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.