SCHEMBL22200490

SCHEMBL22200490

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccccc3)c(F)c2)nc2cnc(N[C@H]3CC[C@H](N(C)C)[C@@H](F)C3)nc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.64
MAPK8 P45983 1/20 0.34
MAPK14 Q16539 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CASP1 P29466 5/20 0.34
HIF1A Q16665 5/20 0.34
HSD17B10 Q99714 5/20 0.34
CASP7 P55210 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 2/20 0.34
RECQL P46063 2/20 0.34
TSHR P16473 2/20 0.34
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 2/20 0.33

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
SCHEMBL29357229 1.00 ERN1 (0.64) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL25035553 1.00 ERN1 (0.64) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL22191557 1.00 ERN1 (0.64) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL22200487 0.95 ERN1 (0.66) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL29356049 0.95 ERN1 (0.66) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL22190947 0.95 ERN1 (0.66) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL22200488 0.95 ERN1 (0.66) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL22191282 0.90 ERN1 (0.64) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL22191281 0.90 ERN1 (0.64) ERN1MAPK8MAPK14ALDH1A1CASP1
SCHEMBL29353247 0.90 ERN1 (0.64) ERN1MAPK8MAPK14ALDH1A1CASP1

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 3167/4885MAPK8 925/4885MAPK14 2813/4885

“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.