SCHEMBL22200810

SCHEMBL22200810

CC(C)n1c(=O)c(-c2ccc(NS(=O)(=O)CCC(F)(F)F)cn2)cc2cnc(N[C@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H](F)C3)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.44
MAPK8 P45983 10/20 0.35
MAPK10 P53779 9/20 0.35
MAPK9 P45984 7/20 0.35
BRAF P15056 2/20 0.33
CDK2 P24941 3/20 0.33
CCNT1 O60563 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK9 P50750 1/20 0.33
CDK6 Q00534 1/20 0.33
CCNK O75909 2/20 0.32
CCNA2 P20248 2/20 0.32
CDK7 P50613 2/20 0.32
CCNH P51946 2/20 0.32
MNAT1 P51948 2/20 0.32
CDK12 Q9NYV4 2/20 0.32
SYK P43405 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
SCHEMBL29356354 1.00 ERN1 (0.44) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL22190758 0.92 ERN1 (0.46) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL22200722 0.87 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL29356090 0.87 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL22190658 0.87 ERN1 (0.48) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL29352899 0.87 ERN1 (0.48) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL29356314 0.86 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL22190760 0.86 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL22200448 0.86 ERN1 (0.52) ERN1MAPK8MAPK10MAPK9BRAF
SCHEMBL22200326 0.82 ERN1 (0.63) ERN1MAPK8MAPK10MAPK9BRAF

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 3167/4885MAPK8 925/4885MAPK10 3731/4885

“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.