SCHEMBL22200544

SCHEMBL22200544

CC(C)n1c(=O)c(-c2cc(F)c(NC(=O)CC3CCC3)c(F)c2F)cc2cnc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.39
PIK3CA P42336 5/20 0.35
MTOR P42345 2/20 0.35
KCNQ3 O43525 4/20 0.33
KCNQ2 O43526 4/20 0.33
BRAF P15056 1/20 0.33
MAP4K4 O95819 1/20 0.33
ABL1 P00519 1/20 0.32
BACE1 P56817 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL22200727 0.86 PIK3CA (0.39) ERN1PIK3CAMTORBRAF
SCHEMBL25034081 0.85 ERN1 (0.39) ERN1PIK3CAMTORABL1
SCHEMBL29353655 0.84 ERN1 (0.53) ERN1
SCHEMBL22190568 0.84 ERN1 (0.53) ERN1
SCHEMBL22190570 0.84 ERN1 (0.53) ERN1
SCHEMBL22200557 0.83 ERN1 (0.42) ERN1PIK3CAMTORABL1
SCHEMBL25034197 0.83 ERN1 (0.42) ERN1PIK3CAMTORABL1
SCHEMBL25035519 0.83 ERN1 (0.42) ERN1PIK3CAMTORABL1
SCHEMBL25035446 0.82 ERN1 (0.40) ERN1PIK3CAMTORBRAFABL1
SCHEMBL25035649 0.82 ERN1 (0.40) ERN1PIK3CAMTORBRAFABL1

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 ERN1 3167/4885PIK3CA 211/4885MTOR 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.