SCHEMBL29355774

SCHEMBL29355774

CC(C)Nc1ncc2cc(-c3cc(F)c(NS(=O)(=O)CCC(F)(F)F)c(F)c3F)c(=O)n(C(C)C)c2n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.51
BRAF P15056 11/20 0.38
FGFR1 P11362 1/20 0.36
MAPK14 Q16539 3/20 0.36
MAPK8 P45983 2/20 0.36
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 0.34
MAPK11 Q15759 1/20 0.34
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
RAF1 P04049 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
SCHEMBL22190769 1.00 ERN1 (0.51) ERN1BRAFFGFR1MAPK14MAPK8
SCHEMBL25035286 0.88 ERN1 (0.47) ERN1BRAF
SCHEMBL29358343 0.88 ERN1 (0.46) ERN1BRAF
SCHEMBL22190866 0.88 ERN1 (0.46) ERN1BRAF
SCHEMBL25035591 0.86 ERN1 (0.56) ERN1BRAFMAPK8MAPK9MAPK10
SCHEMBL22190679 0.85 ERN1 (0.60) ERN1BRAFFGFR1MAPK14MAPK8
SCHEMBL29356440 0.85 ERN1 (0.60) ERN1BRAFFGFR1MAPK14MAPK8
SCHEMBL22190890 0.84 ERN1 (0.59) ERN1BRAFMAPK8MAPK9MAPK10
SCHEMBL22190888 0.84 ERN1 (0.59) ERN1BRAFMAPK8MAPK9MAPK10
SCHEMBL29353001 0.84 ERN1 (0.59) ERN1BRAFMAPK8MAPK9MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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
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

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 563/4885FGFR1 1039/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD ERN1 3167/4885BRAF 563/4885FGFR1 1039/4885

“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.