SCHEMBL248167

SCHEMBL248167

COc1cncc(-c2cnc(N3CCOCC3)cc2N)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.46
MTOR P42345 3/20 0.46
CYP2C19 P33261 2/20 0.44
TGFBR1 P36897 1/20 0.42
ACVR1 Q04771 1/20 0.42
PDE10A Q9Y233 2/20 0.42
LRRK2 Q5S007 2/20 0.41
MAP4K1 Q92918 2/20 0.41
ALK Q9UM73 1/20 0.41
AKT1 P31749 1/20 0.40
FYN P06241 1/20 0.39
ERN1 O75460 1/20 0.39
CNR2 P34972 1/20 0.39
ZAP70 P43403 1/20 0.38
GAK O14976 1/20 0.38
KIT P10721 1/20 0.38
ATR Q13535 1/20 0.38
ATRIP Q8WXE1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL246131 0.81 CYP2C19 (0.59) PIK3CAMTORCYP2C19PDE10ALRRK2
SCHEMBL249137 0.81 PDE10A (0.42) PIK3CAMTORACVR1PDE10ALRRK2
SCHEMBL5564075 0.81 CYP2C19 (0.54) PIK3CAMTORCYP2C19PDE10AMAP4K1
SCHEMBL248166 0.79 ATR (0.49) PIK3CAMTORCYP2C19PDE10ALRRK2
SCHEMBL248192 0.76 LRRK2 (0.39) PIK3CAMTORTGFBR1ACVR1LRRK2
SCHEMBL246958 0.76 ALK (0.49) PIK3CAMTORPDE10ALRRK2MAP4K1
SCHEMBL246130 0.74 LRRK2 (0.50) PIK3CAMTORCYP2C19PDE10ALRRK2
SCHEMBL248634 0.73 FYN (0.48) PIK3CAMTORPDE10ALRRK2MAP4K1
SCHEMBL247209 0.73 LRRK2 (0.43) PIK3CAMTORCYP2C19LRRK2CNR2
SCHEMBL246984 0.73 CYP2C19 (0.52) PIK3CAMTORCYP2C19PDE10ALRRK2

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-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
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 PIK3CA 28/4885MTOR 314/4885CYP2C19 1555/4885

“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.