SCHEMBL22200422

SCHEMBL22200422

COCCn1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccccc3F)c(F)c2)cc2cnc(N[C@@H]3CNC[C@@H](F)C3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.53
PAK1 Q13153 2/20 0.39
PAK2 Q13177 2/20 0.39
MAPK14 Q16539 4/20 0.38
BRAF P15056 2/20 0.38
STK4 Q13043 2/20 0.37
STK3 Q13188 2/20 0.37
SIK2 Q9H0K1 2/20 0.37
STK26 Q9P289 2/20 0.37
STK24 Q9Y6E0 2/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CASP1 P29466 2/20 0.34
CASP7 P55210 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP2D6 P10635 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
Hydrochloric Acid SCHEMBL29353020 0.99 ERN1 (0.52) ERN1PAK1PAK2MAPK14BRAF
Hydrochloric Acid SCHEMBL22191006 0.99 ERN1 (0.52) ERN1PAK1PAK2MAPK14BRAF
SCHEMBL22190895 0.92 ERN1 (0.53) ERN1MAPK14BRAFSTK4STK3
SCHEMBL29356154 0.92 ERN1 (0.53) ERN1MAPK14BRAFSTK4STK3
SCHEMBL22191422 0.88 ERN1 (0.47) ERN1PAK1PAK2MAPK14BRAF
SCHEMBL22190623 0.87 ERN1 (0.64) ERN1MAPK14BRAF
SCHEMBL29356695 0.87 ERN1 (0.64) ERN1MAPK14BRAF
SCHEMBL22200520 0.85 ERN1 (0.58) ERN1MAPK14BRAF
SCHEMBL22200604 0.85 ERN1 (0.58) ERN1MAPK14BRAF
SCHEMBL22200523 0.85 ERN1 (0.58) ERN1MAPK14BRAF

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 3167/4885PAK1 435/4885PAK2 247/4885

“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.