SCHEMBL22190839

SCHEMBL22190839

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)Cc3ccccc3C#N)c(F)c2)nc2cnc(N[C@H]3C[C@H](F)CN(C(=O)O)C3)nc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.69
EGFR P00533 1/20 0.34
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CCND3 P30281 1/20 0.32
CDK6 Q00534 1/20 0.32
MEN1 O00255 3/20 0.31
USP2 O75604 3/20 0.31
CYP1A2 P05177 3/20 0.31
KMT2A Q03164 3/20 0.31
CYP2D6 P10635 2/20 0.31
CASP1 P29466 2/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
ALDH1A1 P00352 2/20 0.31
BRAF P15056 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL22190815 0.93 ERN1 (0.79) ERN1EGFRCDK4CCND1CCND3
SCHEMBL22200360 0.92 ERN1 (0.65) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29352874 0.92 ERN1 (0.65) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22191158 0.91 ERN1 (0.67) ERN1EGFRCDK4CCND1CCND3
SCHEMBL22191393 0.90 ERN1 (0.78) ERN1EGFRCDK4CCND1CCND3
SCHEMBL22190491 0.88 ERN1 (0.87) ERN1EGFRMEN1USP2CYP1A2
SCHEMBL29354861 0.88 ERN1 (0.87) ERN1EGFRMEN1USP2CYP1A2
SCHEMBL22191060 0.87 ERN1 (0.67) ERN1EGFRCDK4CCND1CCND3
SCHEMBL22191082 0.86 ERN1 (0.56) ERN1EGFRCDK4CCND1CCND3
SCHEMBL22200593 0.86 ERN1 (0.75) ERN1CDK4CCND1CCND3CDK6

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 3167/4885EGFR 1613/4885CDK4 36/4885

“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.