SCHEMBL3545803

SCHEMBL3545803

CC(C)(C)OC(=O)NC1CCC(N2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.50
BTK Q06187 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
GAA P10253 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OGFRL1 Q5TC84 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DRD2 P14416 4/20 0.44
EPHX1 P07099 2/20 0.44
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
JAK1 P23458 2/20 0.42
CYP2C9 P11712 1/20 0.42
HSD11B1 P28845 1/20 0.42
JAK2 O60674 1/20 0.42

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
SCHEMBL20438259 1.00 CTSK (0.50) CTSKBTKCA1CA2GAA
SCHEMBL1543136 0.97 CTSK (0.50) CTSKBTKCA1CA2GAA
SCHEMBL4157853 0.97 CTSK (0.50) CTSKBTKCA1CA2GAA
SCHEMBL3208307 0.97 CTSK (0.50) CTSKBTKCA1CA2GAA
SCHEMBL3947708 0.95 CTSK (0.49) CTSKBTKCA1CA2GAA
SCHEMBL4157829 0.95 CTSK (0.49) CTSKBTKCA1CA2GAA
SCHEMBL20273958 0.95 CTSK (0.49) CTSKBTKCA1CA2GAA
SCHEMBL24065227 0.94 CA1 (0.56) CTSKBTKCA1CA2GAA
SCHEMBL12794288 0.94 CTSK (0.52) CTSKBTKCA1CA2GAA
SCHEMBL12794285 0.94 CTSK (0.52) CTSKBTKCA1CA2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941919-B1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES. GENENTECH INC (US) 2025-12-24 EP disclosed
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use GENENTECH, INC. (US) 2025-07-01 US disclosed
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US disclosed
EP-3941919-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AS INHIBITORS OF ENDORIBONUCLEASE INOSITOL REQUIRING ENZYME I (IRE I ALPHA) FOR THE TREATMENT OF CANCER DISEASES Genentech, Inc. (US) 2022-01-26 EP disclosed
CN-113508115-A Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases 基因泰克公司 2021-10-15 CN disclosed
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US 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 (3 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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD CTSK 3074/4885BTK 1775/4885CA1 4838/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 CTSK 448/4885BTK 3514/4885CA1 4191/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD CTSK 3074/4885BTK 1775/4885CA1 4838/4885

“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.