SCHEMBL22200632

SCHEMBL22200632

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.50
STS P08842 1/20 0.35
CCNE2 O96020 2/20 0.34
CCNE1 P24864 2/20 0.34
CDK2 P24941 2/20 0.34
USP30 Q70CQ3 2/20 0.34
PRMT5 O14744 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
BRD4 O60885 1/20 0.34
NR1H2 P55055 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND3 P30281 1/20 0.33
CDK6 Q00534 1/20 0.33
PIK3CA P42336 1/20 0.33
GPR119 Q8TDV5 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL29356158 1.00 ERN1 (0.50) ERN1STSCCNE2CCNE1CDK2
SCHEMBL22190876 0.92 ERN1 (0.54) ERN1CCNE2CCNE1CDK2MEN1
SCHEMBL22200548 0.88 ERN1 (0.51) ERN1STSBACE1BACE2BRD4
SCHEMBL29353260 0.88 ERN1 (0.51) ERN1STSBACE1BACE2BRD4
SCHEMBL22200434 0.84 ERN1 (0.41) ERN1CDK2USP30CDK4CCND1
SCHEMBL29356047 0.84 ERN1 (0.41) ERN1CDK2USP30CDK4CCND1
SCHEMBL29355797 0.84 ERN1 (0.73) ERN1BRD4CDK4CCND1CCND3
SCHEMBL22200343 0.84 ERN1 (0.73) ERN1BRD4CDK4CCND1CCND3
SCHEMBL22190919 0.83 ERN1 (0.69) ERN1CCNE2CCNE1CDK2CDK4
SCHEMBL22200342 0.83 ERN1 (0.63) ERN1CCNE2CCNE1CDK2MEN1

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
CN-113508115-A Pyridopyrimidinone and pteridinone compounds as inhibitors of endoribonuclease inositol requiring enzyme I (IRE I A) for the treatment of cancer diseases 基因泰克公司 2021-10-15 CN 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 3167/4885STS 3217/4885CCNE2 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.