SCHEMBL20101833

SCHEMBL20101833

CN1C(=O)OCc2cnc(S(C)(=O)=O)nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 5/20 0.37
IDH2 P48735 3/20 0.36
NPC1 O15118 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
XBP1 P17861 2/20 0.32
MAPK1 P28482 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TLR9 Q9NR96 2/20 0.32
NUAK1 O60285 1/20 0.32
SIK1 P57059 1/20 0.32
NUAK2 Q9H093 1/20 0.32
SIK2 Q9H0K1 1/20 0.32
SIK3 Q9Y2K2 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
UBE2N P61088 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
SCHEMBL18425401 0.82 IDH1 (0.40) IDH1IDH2NPC1ALDH1A1TP53
SCHEMBL18426981 0.82 IDH1 (0.39) IDH1IDH2NPC1ALDH1A1TP53
SCHEMBL18459827 0.81 IDH1 (0.31) IDH1IDH2L3MBTL1
SCHEMBL18459826 0.79 IDH1 (0.40) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL17813511 0.78 IDH1 (0.40) IDH1IDH2ALDH1A1HSD17B10
SCHEMBL20101835 0.78 IDH1 (0.35) IDH1IDH2TLR9NUAK1SIK1
SCHEMBL31452027 0.78 IDH1 (0.36) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL18168056 0.77 IDH1 (0.43) IDH1IDH2MAPT
SCHEMBL6619181 0.77 FGFR4 (0.37) NPC1ALDH1A1TP53MAPTXBP1
SCHEMBL31139470 0.77 MAPK14 (0.35) NPC1ALDH1A1TP53MAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109075-B Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2024-09-20 CN disclosed
US-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-05-16 US disclosed
US-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-05-16 US disclosed
US-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-05-16 US disclosed
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-04-18 US disclosed
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 EP disclosed
CN-115109075-A Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2022-09-27 CN disclosed
US-20210230185-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY 2021-07-29 US disclosed
US-20210206780-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY 2021-07-08 US disclosed
US-11001596-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2021-05-11 US disclosed
EP-3555105-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2020-10-28 EP disclosed
US-10253041-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2019-04-09 US disclosed
WO-2018111707-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY (US) 2018-06-21 WO disclosed
US-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2018-05-03 US disclosed
US-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2018-05-03 US 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 (7 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-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885NPC1 3980/4885
US-20210230185-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885NPC1 3980/4885
US-20210206780-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885NPC1 3980/4885
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885NPC1 3980/4885
US-10253041-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds and their use as mutant IDH1 inhibitors IDH1, IDH3A, IDH3B IDH1 1/4885IDH2 4/4885NPC1 3126/4885
US-11001596-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B IDH1 2/4885IDH2 1/4885NPC1 3980/4885
US-20180118759-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIR USE AS MUTANT IDH1 INHIBITORS IDH1, IDH3A, IDH3B IDH1 1/4885IDH2 4/4885NPC1 3126/4885

“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.