SCHEMBL22200550

SCHEMBL22200550

CCCS(=O)(=O)Nc1ccc(-c2nc3cnc(N[C@H]4C[C@@H](CF)CN(C(=O)OC(C)(C)C)C4)nc3n(C(C)C)c2=O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.52
JAK1 P23458 2/20 0.38
BRAF P15056 4/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
KIT P10721 1/20 0.35
BRD4 O60885 2/20 0.34
PIK3CA P42336 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NR1H2 P55055 1/20 0.33

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
SCHEMBL22200740 0.95 ERN1 (0.52) ERN1JAK1BRAFCDK4CCND1
SCHEMBL29357975 0.95 ERN1 (0.52) ERN1JAK1BRAFCDK4CCND1
SCHEMBL22200357 0.94 ERN1 (0.52) ERN1JAK1BRAFCDK4CCND1
SCHEMBL29354874 0.94 ERN1 (0.52) ERN1JAK1BRAFCDK4CCND1
SCHEMBL22200745 0.94 ERN1 (0.52) ERN1JAK1BRAFCDK4CCND1
SCHEMBL22191639 0.92 ERN1 (0.55) ERN1JAK1BRAFKITCYP3A4
SCHEMBL22190711 0.88 ERN1 (0.54) ERN1JAK1BRAFCDK4CCND1
SCHEMBL22190904 0.88 ERN1 (0.55) ERN1JAK1BRAFCDK4CCND1
SCHEMBL22200552 0.88 ERN1 (0.57) ERN1JAK1BRAFCDK4CCND1
SCHEMBL22191312 0.87 ERN1 (0.55) ERN1JAK1BRAFCDK4CCND1

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 3167/4885JAK1 556/4885BRAF 563/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD ERN1 3167/4885JAK1 556/4885BRAF 563/4885

“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.