SCHEMBL25035546

SCHEMBL25035546

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)CC3(C(F)(F)F)CCC3)c(F)c2)nc2cnc(N)nc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.55
BRAF P15056 2/20 0.36
MTOR P42345 2/20 0.33
RORC P51449 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
PI4KA P42356 2/20 0.32
PIK3CG P48736 2/20 0.32
KIT P10721 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 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
SCHEMBL25035574 0.92 ERN1 (0.52) ERN1BRAFMTORRORCUSP2
SCHEMBL25034246 0.87 ERN1 (0.47) ERN1BRAFMTORRORCUSP2
SCHEMBL25034136 0.87 ERN1 (0.70) ERN1BRAFMTORRORCUSP2
SCHEMBL22200794 0.86 ERN1 (0.43) ERN1BRAFMTORRORCUSP2
SCHEMBL25035656 0.84 ERN1 (0.50) ERN1BRAFMTORRORCUSP2
SCHEMBL25035324 0.84 ERN1 (0.50) ERN1BRAFMTORRORCUSP2
SCHEMBL25034230 0.84 ERN1 (0.48) ERN1BRAFMTORRORCUSP2
SCHEMBL25035604 0.84 ERN1 (0.48) ERN1BRAFMTORRORCUSP2
SCHEMBL22200482 0.84 ERN1 (0.80) ERN1BRAF
SCHEMBL22191200 0.84 ERN1 (0.80) 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 563/4885MTOR 487/4885

“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.