SCHEMBL22200313

SCHEMBL22200313

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)c3cccnc3)c(F)c2)nc2cnc(N[C@H]3CC[C@H](N(C)C)CC3)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.58
IRAK4 Q9NWZ3 4/20 0.38
MAPK8 P45983 4/20 0.37
MAPK14 Q16539 1/20 0.37
BRAF P15056 1/20 0.36
MAPK10 P53779 3/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
MAPK9 P45984 2/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CDK9 P50750 1/20 0.36
CDK6 Q00534 1/20 0.36
CCNE2 O96020 1/20 0.35
CTPS1 P17812 1/20 0.35
PI4KA P42356 1/20 0.34
PIK3CG P48736 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
Hydrochloric Acid SCHEMBL22191315 0.99 ERN1 (0.58) ERN1IRAK4MAPK8MAPK14BRAF
Hydrochloric Acid SCHEMBL22191317 0.99 ERN1 (0.58) ERN1IRAK4MAPK8MAPK14BRAF
Hydrochloric Acid SCHEMBL29356327 0.99 ERN1 (0.58) ERN1IRAK4MAPK8MAPK14BRAF
SCHEMBL22190726 0.87 ERN1 (0.58) ERN1MAPK8MAPK14CDK9
SCHEMBL29352970 0.87 ERN1 (0.58) ERN1MAPK8MAPK14CDK9
SCHEMBL22190727 0.87 ERN1 (0.58) ERN1MAPK8MAPK14CDK9
SCHEMBL22190681 0.86 ERN1 (0.62) ERN1IRAK4MAPK8MAPK14MAPK10
SCHEMBL29354995 0.86 ERN1 (0.62) ERN1IRAK4MAPK8MAPK14MAPK10
SCHEMBL22200459 0.86 ERN1 (0.62) ERN1IRAK4MAPK8MAPK14MAPK10
SCHEMBL22191286 0.85 ERN1 (0.57) ERN1IRAK4MAPK8MAPK14MAPK10

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 3167/4885IRAK4 2154/4885MAPK8 925/4885

“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.