SCHEMBL22200705

SCHEMBL22200705

CC(C)n1c(=O)c(-c2ccc(N)c(F)c2)nc2cnc(N[C@H]3C[C@H](F)CN(C(=O)OCc4ccccc4)C3)nc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.48
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 5/20 0.36
CYP1A2 P05177 5/20 0.36
CASP1 P29466 4/20 0.36
CASP7 P55210 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK2 P24941 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
USP2 O75604 4/20 0.34
LMNA P02545 3/20 0.34
RECQL P46063 2/20 0.34
HIF1A Q16665 2/20 0.34
MAPK1 P28482 2/20 0.34
TSHR P16473 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
SCHEMBL29356760 1.00 ERN1 (0.48) ERN1ALDH1A1HSD17B10CYP1A2CASP1
SCHEMBL29356361 0.94 ERN1 (0.46) ERN1ALDH1A1HSD17B10CYP1A2CASP1
SCHEMBL22200542 0.94 ERN1 (0.46) ERN1ALDH1A1HSD17B10CYP1A2CASP1
SCHEMBL22190871 0.89 ERN1 (0.50) ERN1CYP1A2CDK4CCND1CDK2
SCHEMBL22200342 0.88 ERN1 (0.63) ERN1ALDH1A1HSD17B10CYP1A2CASP1
SCHEMBL29356019 0.88 ERN1 (0.63) ERN1ALDH1A1HSD17B10CYP1A2CASP1
SCHEMBL29352913 0.88 ERN1 (0.63) ERN1ALDH1A1HSD17B10CYP1A2CASP1
SCHEMBL22200708 0.88 ERN1 (0.47) ERN1CDK4CCND1MAPK1HDAC1
SCHEMBL29356368 0.88 ERN1 (0.47) ERN1CDK4CCND1MAPK1HDAC1
SCHEMBL22200541 0.87 ERN1 (0.54) ERN1ALDH1A1HSD17B10CYP1A2CASP1

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 3167/4885ALDH1A1 1912/4885HSD17B10 3773/4885

“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.