SCHEMBL248191

SCHEMBL248191

COc1cncc(-c2cnc(C3CCOCC3)cc2N)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.42
FYN P06241 2/20 0.40
GCK P35557 2/20 0.39
BACE1 P56817 2/20 0.37
CTSD P07339 1/20 0.37
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
PDE9A O76083 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
HTR6 P50406 1/20 0.36
PRKDC P78527 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
CLK1 P49759 1/20 0.36
DYRK1A Q13627 1/20 0.36
BRD4 O60885 1/20 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
SCHEMBL248192 0.79 LRRK2 (0.39) GCKATR
SCHEMBL248166 0.76 ATR (0.49) FYNCLK1DYRK1AATRATRIP
SCHEMBL5558929 0.75 LRRK2 (0.45) GCKHTR6
SCHEMBL248528 0.74 GCK (0.46) GCKBACE1CTSDCYP11B1CYP11B2
SCHEMBL248397 0.72 CYP11B1 (0.48) BACE1CYP11B1CYP11B2PIM1PIM3
SCHEMBL14849212 0.70 PDE10A (0.39) CYP11B1CYP11B2PIM2BRD4BRD2
SCHEMBL249136 0.69 PDE10A (0.40) CYP11B1CYP11B2PIM1PIM3PIM2
SCHEMBL246485 0.69 GAK (0.39) FYNBACE1CYP11B1CYP11B2PIM1
SCHEMBL243086 0.68 PIK3CA (0.48) FYNCLK1DYRK1AATRATRIP
SCHEMBL5559601 0.68 MAP3K12 (0.38) BACE1CTSD

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 ZAP70 67/4885FYN 369/4885GCK 3916/4885

“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.