SCHEMBL18459838

SCHEMBL18459838

C[C@H](N)c1ccc(OCC2CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ CHEK2 O96017 2/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ GPR119 Q8TDV5 5/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ ACACB O00763 1/20 0.40
▸ LIPE Q05469 1/20 0.40

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
SCHEMBL18459837 1.00 SLC5A1 (0.45) SLC5A1SLC5A2ALOX5APFEN1CHEK2
SCHEMBL21618375 0.84 GPR119 (0.48) SLC5A1SLC5A2ALOX5APFEN1CHEK2
SCHEMBL15300717 0.83 SLC5A1 (0.47) SLC5A1SLC5A2CHEK2NAMPTGPR119
SCHEMBL796329 0.82 NAMPT (0.54) SLC5A1SLC5A2ALOX5APFEN1NAMPT
SCHEMBL29126588 0.81 GPR119 (0.47) SLC5A1SLC5A2CHEK2NAMPTGPR119
SCHEMBL29304279 0.81 GPR119 (0.53) GPR119
SCHEMBL23693081 0.80 GPR119 (0.48) SLC5A1SLC5A2ALOX5APFEN1CHEK2
SCHEMBL10223291 0.79 NPC1 (0.61) CHEK2GPR119NPC1ALDH1A1MAPT
SCHEMBL29126576 0.78 GPR119 (0.47) SLC5A1SLC5A2CHEK2NAMPTGPR119
SCHEMBL17554504 0.77 SLC5A1 (0.46) SLC5A1SLC5A2ALOX5APFEN1CHEK2

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
CN-107849059-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds and their use as inhibitors of mutant IDH1 伊莱利利公司 2020-04-28 — — CN 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
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 SLC5A1 699/4885SLC5A2 1283/4885ALOX5AP 3951/4885
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 SLC5A1 699/4885SLC5A2 1283/4885ALOX5AP 3951/4885

“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.

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