SCHEMBL249136

SCHEMBL249136

COc1cncc(-c2cnc(N3CC(OC)C3)cc2N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
CHRNB2 P17787 5/20 0.37
CHRNB4 P30926 5/20 0.37
CHRNA3 P32297 5/20 0.37
CHRNA4 P43681 5/20 0.37
CHRNA7 P36544 1/20 0.37
CYP11B2 P19099 5/20 0.36
CYP11B1 P15538 4/20 0.36
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
ATAD2 Q6PL18 1/20 0.35
CYP17A1 P05093 1/20 0.35
RET P07949 1/20 0.35
PIM1 P11309 2/20 0.35
PIM3 Q86V86 2/20 0.35
PIM2 Q9P1W9 2/20 0.35

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
SCHEMBL14849212 0.89 PDE10A (0.39) PDE10ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL248166 0.81 ATR (0.49) PDE10A
SCHEMBL249137 0.79 PDE10A (0.42) PDE10ACCNCCDK8MAP3K12
SCHEMBL246485 0.78 GAK (0.39) CYP11B2CYP11B1BRD4BRD2BRD3
SCHEMBL248397 0.72 CYP11B1 (0.48) CYP11B2CYP11B1CYP17A1PIM1PIM3
SCHEMBL248191 0.69 ZAP70 (0.42) CYP11B2CYP11B1BRD4BRD2BRD3
SCHEMBL31508129 0.66 PDE10A (0.41) PDE10ACCNCCDK8MAP3K12
SCHEMBL248528 0.65 GCK (0.46) PDE10ACYP11B2CYP11B1CYP17A1PIM1
SCHEMBL10187281 0.65 LRRK2 (0.42) PDE10AMAP3K12
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 5 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
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 PDE10A 3392/4885CHRNB2 4119/4885CHRNB4 4248/4885

“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.