SCHEMBL20934809

SCHEMBL20934809

COc1nc(N)ccc1C1=CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.42
GRM1 Q13255 8/20 0.39
GRM5 P41594 7/20 0.39
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
NAMPT P43490 1/20 0.37
NR1H2 P55055 1/20 0.37
JAK1 P23458 1/20 0.37
TNK2 Q07912 2/20 0.36
ADORA1 P30542 1/20 0.35
BTK Q06187 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
SCHEMBL30086990 0.89 PDK4 (0.53) PDK4GRM1GRM5PDE10ANAMPT
SCHEMBL20919267 0.89 PDK4 (0.53) PDK4GRM1GRM5PDE10ANAMPT
SCHEMBL31284271 0.84 NR1H2 (0.42) PDK4GRM1GRM5PDE10AMAPT
SCHEMBL31284146 0.84 NR1H2 (0.42) PDK4GRM1GRM5PDE10AMAPT
SCHEMBL25345866 0.81 PDE10A (0.49) PDK4GRM1GRM5PDE10ANAMPT
SCHEMBL31155284 0.81 PDE10A (0.49) PDK4GRM1GRM5PDE10ANAMPT
SCHEMBL25362816 0.80 GRM1 (0.41) PDK4GRM1GRM5PDE10AKDM4E
SCHEMBL30496081 0.80 GRM1 (0.41) PDK4GRM1GRM5PDE10AKDM4E
SCHEMBL31180279 0.78 PDK4 (0.55) PDK4GRM1GRM5PDE10ANAMPT
SCHEMBL31180085 0.78 PDK4 (0.55) PDK4GRM1GRM5PDE10ANAMPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
WO-2019079373-A1 PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA PDK4 339/4885GRM1 3695/4885GRM5 3182/4885

“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.