SCHEMBL22200339

SCHEMBL22200339

O=C(OCc1ccccc1)N1C[C@@H](F)C[C@H](Nc2ncc3cc(-c4ccc(NS(=O)(=O)Cc5ccccc5)c(F)c4F)c(=O)n(CC(F)(F)F)c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 10/20 0.42
BRAF P15056 4/20 0.36
METAP2 P50579 1/20 0.34
HDAC3 O15379 1/20 0.33
PAK3 O75914 1/20 0.33
PAK1 Q13153 1/20 0.33
PAK2 Q13177 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
F2 P00734 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAPK8 P45983 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
SCHEMBL29353122 1.00 ERN1 (0.42) ERN1BRAFMETAP2HDAC3PAK3
SCHEMBL22191320 0.93 ERN1 (0.42) ERN1BRAFMETAP2HDAC3PAK3
SCHEMBL29356289 0.91 BRAF (0.45) ERN1BRAFMAPK14MAPK8
SCHEMBL29354708 0.90 ERN1 (0.42) ERN1BRAFMAPK14
SCHEMBL22200683 0.90 ERN1 (0.47) ERN1BRAFMAPK8
SCHEMBL29356472 0.90 ERN1 (0.47) ERN1BRAFMAPK8
SCHEMBL29355953 0.89 ERN1 (0.48) ERN1BRAFMAPK8
SCHEMBL22190782 0.84 ERN1 (0.55) ERN1BRAFMETAP2F2
SCHEMBL29355964 0.84 ERN1 (0.55) ERN1BRAFMETAP2F2
SCHEMBL22190751 0.83 BRAF (0.49) ERN1BRAFMAPK14

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 2 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
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 563/4885METAP2 1041/4885

“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.