SCHEMBL18459488

SCHEMBL18459488

CSc1ncc2c(n1)N(CC(C)C)C(=O)OC2

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 13/20 0.41
IDH2 P48735 12/20 0.41
FGFR4 P22455 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIM1 P11309 2/20 0.33
TTK P33981 2/20 0.33
PIM2 Q9P1W9 2/20 0.33
WEE1 P30291 1/20 0.30
HSP90AA1 P07900 1/20 0.30
HSP90AB1 P08238 1/20 0.30

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
SCHEMBL18459331 0.89 FGFR4 (0.35) IDH1IDH2FGFR4MEN1KMT2A
SCHEMBL18426683 0.85 IDH1 (0.41) IDH1IDH2FGFR4MEN1KMT2A
SCHEMBL24170978 0.83 FGFR4 (0.39) IDH1IDH2FGFR4MEN1KMT2A
SCHEMBL18459591 0.82 FGFR4 (0.38) IDH1IDH2FGFR4MEN1KMT2A
SCHEMBL25538694 0.82 FGFR4 (0.36) IDH1IDH2FGFR4MEN1KMT2A
SCHEMBL18168121 0.82 IDH1 (0.42) IDH1IDH2HSP90AA1HSP90AB1
SCHEMBL18459263 0.80 IDH1 (0.40) IDH1IDH2FGFR4MEN1KMT2A
SCHEMBL25538721 0.80 FGFR4 (0.36) FGFR4MEN1KMT2APIM1TTK
SCHEMBL18459826 0.79 IDH1 (0.40) IDH1IDH2
SCHEMBL18426564 0.78 FGFR4 (0.48) IDH1IDH2FGFR4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 US disclosed
EP-3328866-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2019-10-30 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
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
WO-2017019429-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AND THEIT USE AS MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-02-02 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 (3 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-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 4/4885FGFR4 383/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B IDH1 1/4885IDH2 4/4885FGFR4 536/4885
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 4/4885FGFR4 383/4885

“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.