SCHEMBL22200552

SCHEMBL22200552

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)CCC(F)(F)F)c(F)c2)nc2cnc(N[C@H]3C[C@H](F)CN(C(=O)OC(C)(C)C)C3)nc21

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.57
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
BRD4 O60885 2/20 0.33
PIK3CA P42336 1/20 0.33
JAK1 P23458 2/20 0.33
MAPK1 P28482 3/20 0.33
BRAF P15056 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
NR1H2 P55055 1/20 0.32
DYRK2 Q92630 1/20 0.32
EGFR P00533 1/20 0.32

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
SCHEMBL22200357 0.94 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22191293 0.92 ERN1 (0.60) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200745 0.90 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29354874 0.90 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29352998 0.88 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200351 0.88 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29355797 0.88 ERN1 (0.73) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200343 0.88 ERN1 (0.73) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200550 0.88 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200740 0.88 ERN1 (0.52) ERN1CDK4CCND1CCND3CDK6

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 ERN1 3167/4885CDK4 36/4885CCND1 1637/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD ERN1 3167/4885CDK4 36/4885CCND1 1637/4885

“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.