SCHEMBL22200717

SCHEMBL22200717

CC(C)n1c(=O)cnc2cnc(N[C@H]3C[C@H](F)CN(C(=O)OCc4ccccc4)C3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 11/20 0.40
MAPK10 P53779 10/20 0.40
MAPK9 P45984 8/20 0.40
CCNA2 P20248 4/20 0.39
CDK2 P24941 4/20 0.39
CDK7 P50613 4/20 0.39
CCNH P51946 4/20 0.39
MNAT1 P51948 4/20 0.39
CCNK O75909 3/20 0.39
CDK12 Q9NYV4 3/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LCK P06239 1/20 0.37
CYP3A4 P08684 1/20 0.36

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
SCHEMBL22200720 0.89 HDAC3 (0.38) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL29354891 0.89 HDAC3 (0.38) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL22190697 0.85 MAPK8 (0.45) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL29356361 0.85 ERN1 (0.46) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL22200542 0.85 ERN1 (0.46) MAPK8MAPK10MAPK9CCNA2CDK2
SCHEMBL22200705 0.83 ERN1 (0.48) MAPK8CDK2ALDH1A1CYP1A2TSHR
SCHEMBL29356760 0.83 ERN1 (0.48) MAPK8CDK2ALDH1A1CYP1A2TSHR
SCHEMBL29357908 0.81 ERN1 (0.54) MAPK8MAPK10MAPK9CDK2ALDH1A1
SCHEMBL22200541 0.81 ERN1 (0.54) MAPK8MAPK10MAPK9CDK2ALDH1A1
SCHEMBL22200342 0.80 ERN1 (0.63) MAPK8CDK2ALDH1A1CYP1A2TSHR

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 7 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
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
WO-2020142612-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) 2020-07-09 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 (2 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 MAPK8 925/4885MAPK10 3731/4885MAPK9 3080/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD MAPK8 925/4885MAPK10 3731/4885MAPK9 3080/4885

“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.