SCHEMBL22190876

SCHEMBL22190876

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccccc3)nc2)nc2cnc(N[C@H]3C[C@H](F)CN(C(=O)O)C3)nc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.54
CDK2 P24941 4/20 0.35
CCNE2 O96020 2/20 0.35
CCNE1 P24864 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK8 P45983 5/20 0.34
MAPK10 P53779 5/20 0.34
MAPK9 P45984 4/20 0.34
CASP1 P29466 3/20 0.34
CASP7 P55210 3/20 0.34
HIF1A Q16665 3/20 0.34
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 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
SCHEMBL22200632 0.92 ERN1 (0.50) ERN1CDK2CCNE2CCNE1ALDH1A1
SCHEMBL29356158 0.92 ERN1 (0.50) ERN1CDK2CCNE2CCNE1ALDH1A1
SCHEMBL22191158 0.90 ERN1 (0.67) ERN1CDK2ALDH1A1MAPK8CASP1
SCHEMBL22190780 0.90 ERN1 (0.57) ERN1CDK2ALDH1A1MAPK8MAPK10
SCHEMBL22191464 0.87 ERN1 (0.55) ERN1CDK2ALDH1A1MAPK8MAPK10
SCHEMBL22190919 0.87 ERN1 (0.69) ERN1CDK2CCNE2CCNE1ALDH1A1
SCHEMBL22190581 0.86 ERN1 (0.53) ERN1CDK2CCNE2CCNE1MAPK8
SCHEMBL22191004 0.84 ERN1 (0.44) ERN1CDK2MAPK8MAPK10MAPK9
SCHEMBL22191393 0.83 ERN1 (0.78) ERN1CDK2CCNE2CCNE1ALDH1A1
SCHEMBL22200342 0.83 ERN1 (0.63) ERN1CDK2CCNE2CCNE1ALDH1A1

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 3 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
EP-3941919-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) 2022-01-26 EP 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 3167/4885CDK2 126/4885CCNE2 2655/4885

“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.