SCHEMBL18459591

SCHEMBL18459591

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 2/20 0.38
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
WEE1 P30291 1/20 0.33
PIM1 P11309 2/20 0.32
TTK P33981 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
PDE4B Q07343 1/20 0.32
IDH1 O75874 5/20 0.32
IDH2 P48735 5/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL24170978 0.88 FGFR4 (0.39) FGFR4MEN1KMT2AWEE1PIM1
SCHEMBL18426683 0.85 IDH1 (0.41) FGFR4MEN1KMT2AWEE1PIM1
SCHEMBL18459331 0.84 FGFR4 (0.35) FGFR4MEN1KMT2APDE4BIDH1
SCHEMBL18459488 0.82 IDH1 (0.41) FGFR4MEN1KMT2AWEE1PIM1
SCHEMBL25538694 0.82 FGFR4 (0.36) FGFR4MEN1KMT2APIM1TTK
SCHEMBL31452033 0.81 WEE1 (0.49) FGFR4MEN1KMT2AWEE1IDH1
SCHEMBL18426564 0.81 FGFR4 (0.48) FGFR4MEN1KMT2APIM1TTK
SCHEMBL30325168 0.80 FGFR4 (0.36) FGFR4MEN1KMT2AWEE1PIM1
SCHEMBL30325018 0.80 FGFR4 (0.36) FGFR4MEN1KMT2AWEE1PIM1
SCHEMBL18459827 0.79 IDH1 (0.31) IDH1IDH2

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 383/4885MEN1 640/4885KMT2A 216/4885
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 383/4885MEN1 640/4885KMT2A 216/4885

“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.