SCHEMBL25035656

SCHEMBL25035656

CCC(F)(F)CS(=O)(=O)Nc1ccc(-c2nc3cnc(N)nc3n(C(C)C)c2=O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.50
BRAF P15056 2/20 0.40
RORC P51449 1/20 0.36
KIT P10721 2/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
ALOX5AP P20292 3/20 0.35
FEN1 P39748 3/20 0.35
MTOR P42345 2/20 0.35
USP2 O75604 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL25035427 0.89 BRAF (0.51) ERN1BRAFRORCKITALOX5AP
SCHEMBL25035324 0.89 ERN1 (0.50) ERN1BRAFRORCKITPI4KA
SCHEMBL25035267 0.88 ERN1 (0.49) ERN1BRAFRORCKITPI4KA
SCHEMBL25035417 0.86 ERN1 (0.49) ERN1BRAFRORCKITPI4KA
SCHEMBL22200553 0.85 ERN1 (0.40) ERN1BRAFRORCMTORUSP2
SCHEMBL25035369 0.85 ERN1 (0.57) ERN1BRAFALOX5APFEN1USP2
SCHEMBL25035335 0.85 ERN1 (0.58) ERN1BRAFKITPI4KAPIK3CG
SCHEMBL25035574 0.85 ERN1 (0.52) ERN1BRAFRORCKITPI4KA
SCHEMBL25035546 0.84 ERN1 (0.55) ERN1BRAFRORCKITPI4KA
SCHEMBL25035637 0.84 ERN1 (0.51) ERN1BRAFMTORUSP2ALDH1A1

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 563/4885RORC 528/4885

“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.