SCHEMBL22190821

SCHEMBL22190821

CC(Oc1nc2nc(N[C@H]3C[C@H](F)CN(C(=O)O)C3)ncc2cc1-c1ccc(NS(=O)(=O)Cc2ccccc2)c(F)c1F)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 15/20 0.40
BRAF P15056 3/20 0.34
MAP2K7 O14733 1/20 0.32
MAPK8 P45983 1/20 0.32
MAP2K4 P45985 1/20 0.32
MAP3K20 Q9NYL2 1/20 0.32
MAP4K5 Q9Y4K4 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
SCHEMBL29356313 0.93 ERN1 (0.38) ERN1BRAF
SCHEMBL24558621 0.88 ERN1 (0.51) ERN1BRAF
SCHEMBL29735923 0.88 ERN1 (0.51) ERN1BRAF
SCHEMBL22190649 0.83 ERN1 (0.49) ERN1BRAF
SCHEMBL22190751 0.82 BRAF (0.49) ERN1BRAF
SCHEMBL24558800 0.81 ERN1 (0.51) ERN1
SCHEMBL22191449 0.81 ERN1 (0.49) ERN1BRAF
SCHEMBL22190886 0.79 ERN1 (0.43) ERN1BRAF
SCHEMBL25035601 0.79 F2 (0.37) ERN1BRAFMAP2K7MAPK8MAP2K4
SCHEMBL22191320 0.79 ERN1 (0.42) 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 5 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
US-20220204498-A1 PYRIDO-PYRIMIDINYL COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2022-06-30 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
EP-3927433-A1 PYRIDO-PYRIMIDINYL COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2021-12-29 EP 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 3167/4885BRAF 563/4885MAP2K7 1965/4885
US-20220204498-A1 PYRIDO-PYRIMIDINYL COMPOUNDS AND METHODS OF USE XBP1, HSPA5, ERN2 ERN1 5/4885BRAF 1813/4885MAP2K7 3436/4885

“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.