SCHEMBL25035490

SCHEMBL25035490

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)CCCC3CC3)c(F)c2)cc2cnc(N)nc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.49
BRAF P15056 6/20 0.47
ALOX5AP P20292 6/20 0.41
FEN1 P39748 6/20 0.41
PIK3CA P42336 3/20 0.37
MTOR P42345 1/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL25035366 0.92 ERN1 (0.49) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL25035554 0.87 ERN1 (0.51) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL25034109 0.87 BRAF (0.49) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL25035529 0.87 ERN1 (0.50) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL25035614 0.86 BRAF (0.49) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL25035390 0.85 BRAF (0.47) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL22200625 0.85 ERN1 (0.43) ERN1BRAFPIK3CAMTORTLR9
SCHEMBL25034128 0.85 ERN1 (0.48) ERN1BRAFALOX5APFEN1PIK3CA
SCHEMBL22200471 0.84 ERN1 (0.65) ERN1BRAF
SCHEMBL30242204 0.84 ERN1 (0.65) 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 1 patent. 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

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 563/4885ALOX5AP 1186/4885

“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.