SCHEMBL22200539

SCHEMBL22200539

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccccc3)c(F)c2F)nc2cnc(N[C@H]3C[C@H](F)CN(C(=O)OCc4ccccc4)C3)nc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.51
CCNE2 O96020 2/20 0.32
CCNE1 P24864 2/20 0.32
CDK2 P24941 2/20 0.32
BRAF P15056 1/20 0.32
EGFR P00533 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31

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
SCHEMBL29353878 1.00 ERN1 (0.51) ERN1CCNE2CCNE1CDK2BRAF
SCHEMBL22190581 0.93 ERN1 (0.53) ERN1CCNE2CCNE1CDK2BRAF
SCHEMBL22200342 0.90 ERN1 (0.63) ERN1CCNE2CCNE1CDK2BRAF
SCHEMBL29356019 0.90 ERN1 (0.63) ERN1CCNE2CCNE1CDK2BRAF
SCHEMBL29352913 0.90 ERN1 (0.63) ERN1CCNE2CCNE1CDK2BRAF
SCHEMBL22200540 0.88 ERN1 (0.39) ERN1CDK2EGFR
SCHEMBL29357908 0.87 ERN1 (0.54) ERN1CCNE2CCNE1CDK2
SCHEMBL22200541 0.87 ERN1 (0.54) ERN1CCNE2CCNE1CDK2
SCHEMBL29355953 0.86 ERN1 (0.48) ERN1BRAF
SCHEMBL22200683 0.85 ERN1 (0.47) ERN1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 US 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 (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-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE TYMP, TYMS, DPYD ERN1 3167/4885CCNE2 2655/4885CCNE1 1158/4885

“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.