SCHEMBL22200474

SCHEMBL22200474

COc1cccc(CS(=O)(=O)Nc2c(F)cc(-c3cc4cnc(N[C@@H]5CNC[C@@H](F)C5)nc4n(C(C)C)c3=O)c(F)c2F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 1.00
ADORA2A P29274 6/20 0.36
ADORA1 P30542 5/20 0.36

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
Hydrochloric Acid SCHEMBL29356031 0.99 ERN1 (0.99) ERN1ADORA2AADORA1
Hydrochloric Acid SCHEMBL22190836 0.99 ERN1 (0.99) ERN1ADORA2AADORA1
Hydrochloric Acid SCHEMBL29356029 0.99 ERN1 (0.99) ERN1ADORA2AADORA1
SCHEMBL22190683 0.93 ERN1 (0.87) ERN1ADORA2AADORA1
SCHEMBL29353630 0.93 ERN1 (0.87) ERN1ADORA2AADORA1
SCHEMBL22190767 0.92 ERN1 (0.85) ERN1
SCHEMBL29355924 0.92 ERN1 (0.85) ERN1
SCHEMBL22190617 0.90 ERN1 (0.82) ERN1
SCHEMBL29355776 0.90 ERN1 (0.82) ERN1
SCHEMBL22190543 0.88 ERN1 (0.79) ERN1ADORA2AADORA1

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 3167/4885ADORA2A 275/4885ADORA1 351/4885

“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.