SCHEMBL25035647

SCHEMBL25035647

CC(C)n1c(=O)c(-c2c(F)cc(NS(=O)(=O)CCC(F)(F)F)c(F)c2F)nc2cnc(N)nc21

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.41
ERN1 O75460 3/20 0.38
RORC P51449 2/20 0.33
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30

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
SCHEMBL25035513 0.89 ERN1 (0.39) BRAFERN1RORCPIK3CA
SCHEMBL25035361 0.88 BRAF (0.40) BRAFERN1RORCPIK3CDPIK3CA
SCHEMBL25035324 0.85 ERN1 (0.50) BRAFERN1RORCPIK3CDPIK3CA
SCHEMBL22200392 0.84 ERN1 (0.33) BRAFERN1RORC
SCHEMBL25034211 0.84 ERN1 (0.52) BRAFERN1RORCPIK3CA
SCHEMBL22200388 0.82 ERN1 (0.61) BRAFERN1
SCHEMBL30242208 0.82 ERN1 (0.61) BRAFERN1
Hydrochloric Acid SCHEMBL22190994 0.81 ERN1 (0.60) BRAFERN1
Hydrochloric Acid SCHEMBL22190997 0.81 ERN1 (0.60) BRAFERN1
Hydrochloric Acid SCHEMBL29357842 0.81 ERN1 (0.60) BRAFERN1

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 BRAF 563/4885ERN1 3167/4885RORC 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.