SCHEMBL20101835

SCHEMBL20101835

CS(=O)(=O)c1ncc2c(n1)N(CC(F)F)C(=O)OC2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 14/20 0.35
IDH2 P48735 12/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
NUAK1 O60285 1/20 0.31
SIK1 P57059 1/20 0.31
NUAK2 Q9H093 1/20 0.31
SIK2 Q9H0K1 1/20 0.31
SIK3 Q9Y2K2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
AGTR1 P30556 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TLR9 Q9NR96 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
SCHEMBL18459826 0.89 IDH1 (0.40) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL18425401 0.85 IDH1 (0.40) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL18459827 0.84 IDH1 (0.31) IDH1IDH2L3MBTL1
SCHEMBL31452027 0.81 IDH1 (0.36) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL18459331 0.79 FGFR4 (0.35) IDH1IDH2MEN1KMT2A
SCHEMBL20101833 0.78 IDH1 (0.37) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL18426981 0.77 IDH1 (0.39) IDH1IDH2NUAK1SIK1NUAK2
SCHEMBL31452094 0.76 WEE1 (0.35) IDH1IDH2
SCHEMBL30324987 0.75 L3MBTL1 (0.32) IDH1IDH2L3MBTL1TLR9
SCHEMBL30325187 0.75 L3MBTL1 (0.32) IDH1IDH2L3MBTL1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 IDH1 1/4885IDH2 4/4885CCNE1 381/4885
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 4/4885CCNE1 381/4885

“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.