SCHEMBL252383

SCHEMBL252383

CC(C)(C)OC(=O)N1CC=C(c2cnc(N3CCOCC3)cc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.47
PDK4 Q16654 1/20 0.46
CYP11B2 P19099 1/20 0.43
GRM1 Q13255 4/20 0.43
GRM5 P41594 3/20 0.43
EED O75530 2/20 0.43
RBBP4 Q09028 2/20 0.43
SUZ12 Q15022 2/20 0.43
EZH2 Q15910 2/20 0.43
PIK3CA P42336 6/20 0.42
PIK3R1 P27986 5/20 0.42
JAK1 P23458 1/20 0.42
TNK2 Q07912 1/20 0.42
AKT1 P31749 1/20 0.42
MTOR P42345 1/20 0.42
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL248879 0.85 KMO (0.41) PIK3CAAKT1MTOR
SCHEMBL4764912 0.83 GABRP (0.52) PDK4CYP11B2GRM1GRM5EED
SCHEMBL15000447 0.78 CYP11B2 (0.49) PDK4CYP11B2GRM1GRM5PIK3CA
SCHEMBL30439316 0.77 PDK4 (0.51) BTKPDK4CYP11B2GRM1GRM5
SCHEMBL1804728 0.77 PDK4 (0.51) BTKPDK4CYP11B2GRM1GRM5
SCHEMBL18129633 0.76 MAP4K1 (0.55) BTKCYP11B2PIK3CAJAK1PIK3CD
SCHEMBL115682 0.76 PDK4 (0.54) BTKPDK4GRM1GRM5EED
SCHEMBL1497809 0.76 NAMPT (0.43) PDK4CYP11B2GRM1GRM5PIK3CA
SCHEMBL21245699 0.76 PDK4 (0.50) BTKPDK4CYP11B2GRM1GRM5
SCHEMBL30198515 0.76 PDK4 (0.50) BTKPDK4CYP11B2GRM1GRM5

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 BTK 17/4885PDK4 2614/4885CYP11B2 1362/4885

“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.