SCHEMBL22200727

SCHEMBL22200727

CC(C)CC(=O)Nc1c(F)cc(-c2cc3cnc(N)nc3n(C(C)C)c2=O)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.39
MTOR P42345 3/20 0.39
ERN1 O75460 1/20 0.38
BRAF P15056 1/20 0.36
FGFR1 P11362 2/20 0.32
FGFR2 P21802 2/20 0.32
FGFR4 P22455 2/20 0.32
FGFR3 P22607 2/20 0.32
EGFR P00533 1/20 0.32
SRC P12931 1/20 0.32
SHMT2 P34897 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
SCHEMBL22200544 0.86 ERN1 (0.39) PIK3CAMTORERN1BRAF
SCHEMBL25034081 0.85 ERN1 (0.39) PIK3CAMTORERN1
SCHEMBL25034197 0.84 ERN1 (0.42) PIK3CAMTORERN1
SCHEMBL25035519 0.84 ERN1 (0.42) PIK3CAMTORERN1
SCHEMBL22200557 0.84 ERN1 (0.42) PIK3CAMTORERN1
SCHEMBL25035526 0.83 ERN1 (0.40) PIK3CAMTORERN1BRAF
SCHEMBL25035649 0.83 ERN1 (0.40) PIK3CAMTORERN1BRAF
SCHEMBL25035446 0.83 ERN1 (0.40) PIK3CAMTORERN1BRAF
SCHEMBL25035524 0.83 ERN1 (0.40) PIK3CAMTORERN1BRAF
SCHEMBL25035509 0.83 ERN1 (0.40) PIK3CAMTORERN1BRAF

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 PIK3CA 211/4885MTOR 487/4885ERN1 3167/4885

“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.