SCHEMBL22190989

SCHEMBL22190989

CC[C@@H](C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccccc3F)c(F)c2)cc2cnc(NC3CC(F)CN(C(=O)O)C3)nc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.48
BRAF P15056 8/20 0.38
MAPK14 Q16539 1/20 0.36
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
CDK9 P50750 1/20 0.35
CDK6 Q00534 1/20 0.35
CCNE2 O96020 1/20 0.35
MAPK8 P45983 2/20 0.32
MAPK9 P45984 2/20 0.32
MAPK10 P53779 2/20 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
SCHEMBL28640241 1.00 ERN1 (0.48) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL22190823 1.00 ERN1 (0.48) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL28640242 1.00 ERN1 (0.48) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL28642487 1.00 ERN1 (0.48) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL22200806 0.92 ERN1 (0.47) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL22191505 0.92 ERN1 (0.47) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL22190820 0.92 ERN1 (0.47) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL22191070 0.92 ERN1 (0.47) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL22190822 0.92 ERN1 (0.47) ERN1BRAFMAPK14CCNE1CDK2
SCHEMBL29356184 0.92 ERN1 (0.47) ERN1BRAFMAPK14CCNE1CDK2

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
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
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 3167/4885BRAF 563/4885MAPK14 2813/4885

“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.