SCHEMBL22200720

SCHEMBL22200720

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ERN1 O75460 3/20 0.37
LCK P06239 1/20 0.36
EGFR P00533 1/20 0.36
MAPK8 P45983 7/20 0.35
MAPK10 P53779 7/20 0.35
MAPK9 P45984 6/20 0.35
CDK2 P24941 3/20 0.35
CCNK O75909 2/20 0.35
CCNA2 P20248 2/20 0.35
CDK7 P50613 2/20 0.35
CCNH P51946 2/20 0.35
MNAT1 P51948 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
GLRA1 P23415 1/20 0.34
GRIN2B Q13224 1/20 0.34
CDK1 P06493 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
SCHEMBL29354891 1.00 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC6ERN1
SCHEMBL22200717 0.89 MAPK8 (0.40) HDAC3HDAC1HDAC2HDAC6ERN1
SCHEMBL22190993 0.86 MAPK8 (0.39) ERN1EGFRMAPK8MAPK10MAPK9
SCHEMBL22200542 0.85 ERN1 (0.46) ERN1MAPK8MAPK10MAPK9CDK2
SCHEMBL29356361 0.85 ERN1 (0.46) ERN1MAPK8MAPK10MAPK9CDK2
SCHEMBL29357659 0.84 EGFR (0.37) ERN1EGFRMAPK8MAPK10MAPK9
SCHEMBL22200734 0.84 EGFR (0.37) ERN1EGFRMAPK8MAPK10MAPK9
SCHEMBL29356760 0.84 ERN1 (0.48) HDAC1HDAC2ERN1MAPK8CDK2
SCHEMBL22200705 0.84 ERN1 (0.48) HDAC1HDAC2ERN1MAPK8CDK2
SCHEMBL22200707 0.82 PIK3CD (0.40) HDAC3HDAC1HDAC2HDAC6EGFR

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 HDAC3 1429/4885HDAC1 1596/4885HDAC2 1925/4885

“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.