Sugi Predict

Sugi Predict / Compounds / SCHEMBL22200329

SCHEMBL22200329

SCHEMBL22200329

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 10/20 0.54
▸ MAPK8 P45983 6/20 0.37
▸ BRAF P15056 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ CDK6 Q00534 2/20 0.35
▸ MAPK10 P53779 5/20 0.35
▸ MAPK9 P45984 4/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CCNH P51946 1/20 0.35
▸ MNAT1 P51948 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35

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
SCHEMBL22190646 0.92 ERN1 (0.46) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL25035589 0.92 ERN1 (0.46) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL29354489 0.92 ERN1 (0.46) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL22190859 0.86 ERN1 (0.60) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL29353977 0.86 ERN1 (0.60) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL22190658 0.86 ERN1 (0.48) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL29352899 0.86 ERN1 (0.48) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL30242203 0.86 ERN1 (0.57) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL22200695 0.86 ERN1 (0.57) ERN1MAPK8BRAFCCNT1CDK4
SCHEMBL22190541 0.85 ERN1 (0.55) ERN1MAPK8BRAFCCNT1CDK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3941919-B1 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) 2025-12-24 — — EP disclosed
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use GENENTECH, INC. (US) 2025-07-01 — — US disclosed
US-20230047209-A1 PYRIDO-PYRIMIDINONE AND PTERIDINONE COMPOUNDS AND METHODS OF USE PARAZA PHARMA, INC. (CA) 2023-02-16 — — US disclosed
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 (2 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 925/4885BRAF 563/4885
US-12344603-B2 Pyrido-pyrimidinone and pteridinone compounds and methods of use TYMP, TYMS, DPYD ERN1 3167/4885MAPK8 925/4885BRAF 563/4885

“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.