SCHEMBL22200434

SCHEMBL22200434

CC(C)n1c(=O)c(-c2ccc(N)nc2)nc2cnc(N[C@H]3C[C@H](F)CN(C(=O)OC(C)(C)C)C3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.41
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
JAK3 P52333 1/20 0.36
MAPK8 P45983 8/20 0.36
MAPK10 P53779 8/20 0.36
MAPK9 P45984 6/20 0.36
PIK3CA P42336 2/20 0.35
EGFR P00533 1/20 0.35
MTOR P42345 1/20 0.34
USP30 Q70CQ3 1/20 0.34
PIK3CD O00329 1/20 0.34
CCNK O75909 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK7 P50613 1/20 0.34
CCNH P51946 1/20 0.34
MNAT1 P51948 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
SCHEMBL29356047 1.00 ERN1 (0.41) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22191004 0.90 ERN1 (0.44) ERN1MAPK8MAPK10MAPK9EGFR
SCHEMBL22200708 0.90 ERN1 (0.47) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29356368 0.90 ERN1 (0.47) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200741 0.86 CDK4 (0.43) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29355662 0.86 CDK4 (0.43) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29356158 0.84 ERN1 (0.50) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200632 0.84 ERN1 (0.50) ERN1CDK4CCND1CCND3CDK6
SCHEMBL22200734 0.84 EGFR (0.37) ERN1CDK4CCND1CCND3CDK6
SCHEMBL29357659 0.84 EGFR (0.37) 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
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 ERN1 3167/4885CDK4 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.