SCHEMBL18459331

SCHEMBL18459331

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.35
IDH1 O75874 14/20 0.35
IDH2 P48735 12/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4B Q07343 1/20 0.33
ABL1 P00519 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL18459488 0.89 IDH1 (0.41) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL18426683 0.84 IDH1 (0.41) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL18459591 0.84 FGFR4 (0.38) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL24170978 0.82 FGFR4 (0.39) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL25538694 0.81 FGFR4 (0.36) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL20101835 0.79 IDH1 (0.35) IDH1IDH2MEN1KMT2A
SCHEMBL18426564 0.77 FGFR4 (0.48) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL18459263 0.76 IDH1 (0.40) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL31452033 0.75 WEE1 (0.49) FGFR4IDH1IDH2MEN1KMT2A
SCHEMBL30325018 0.75 FGFR4 (0.36) FGFR4IDH1IDH2MEN1KMT2A

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-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 (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-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 FGFR4 383/4885IDH1 1/4885IDH2 4/4885
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 FGFR4 383/4885IDH1 1/4885IDH2 4/4885

“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.