SCHEMBL249137

SCHEMBL249137

COc1cncc(-c2cnc(N3CC(OC)C3)cc2N)c1N

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.42
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
MAP3K12 Q12852 5/20 0.34
ACVR1 Q04771 1/20 0.32
LRRK2 Q5S007 1/20 0.31
MAP4K1 Q92918 4/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30

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
SCHEMBL248167 0.81 PIK3CA (0.46) PDE10AACVR1LRRK2MAP4K1PIK3CA
SCHEMBL249136 0.79 PDE10A (0.40) PDE10ACCNCCDK8MAP3K12
SCHEMBL248398 0.72 DHFR (0.37) PDE10AACVR1
SCHEMBL248192 0.69 LRRK2 (0.39) MAP3K12ACVR1LRRK2MAP4K1PIK3CA
SCHEMBL14849212 0.68 PDE10A (0.39) PDE10A
SCHEMBL31508129 0.66 PDE10A (0.41) PDE10ACCNCCDK8MAP3K12LRRK2
SCHEMBL25925600 0.66 BRD9 (0.42) PDE10ACCNCCDK8MAP3K12ACVR1
SCHEMBL248529 0.65 GCK (0.40) PDE10APIK3CAMTOR
SCHEMBL10187281 0.65 LRRK2 (0.42) PDE10AMAP3K12LRRK2
SCHEMBL2791709 0.65 PDE10A (0.46) PDE10ACCNCCDK8MAP3K12

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 PDE10A 3392/4885CCNC 239/4885CDK8 44/4885

“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.