SCHEMBL22200734

SCHEMBL22200734

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCND3 P30281 1/20 0.37
CDK6 Q00534 1/20 0.37
MAPK8 P45983 7/20 0.36
MAPK10 P53779 7/20 0.36
MAPK9 P45984 6/20 0.36
ERN1 O75460 3/20 0.36
JAK3 P52333 1/20 0.35
CDK2 P24941 4/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CCNA2 P20248 3/20 0.34
CDK7 P50613 3/20 0.34
CCNH P51946 3/20 0.34
MNAT1 P51948 3/20 0.34
CCNK O75909 2/20 0.34
CDK12 Q9NYV4 2/20 0.34
DDB1 Q16531 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
SCHEMBL29357659 1.00 EGFR (0.37) EGFRCDK4CCND1CCND3CDK6
SCHEMBL29358023 0.90 JAK3 (0.39) EGFRCDK4CCND1CCND3CDK6
SCHEMBL22200555 0.90 JAK3 (0.39) EGFRCDK4CCND1CCND3CDK6
SCHEMBL22190993 0.88 MAPK8 (0.39) EGFRMAPK8MAPK10MAPK9ERN1
SCHEMBL29354891 0.84 HDAC3 (0.38) EGFRCDK4CCND1MAPK8MAPK10
SCHEMBL22200720 0.84 HDAC3 (0.38) EGFRCDK4CCND1MAPK8MAPK10
SCHEMBL29356047 0.84 ERN1 (0.41) EGFRCDK4CCND1CCND3CDK6
SCHEMBL22200434 0.84 ERN1 (0.41) EGFRCDK4CCND1CCND3CDK6
SCHEMBL22200708 0.82 ERN1 (0.47) EGFRCDK4CCND1CCND3CDK6
SCHEMBL29356368 0.82 ERN1 (0.47) EGFRCDK4CCND1CCND3CDK6

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 EGFR 1613/4885CDK4 36/4885CCND1 1637/4885

“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.