SCHEMBL20270868

SCHEMBL20270868

CC(NC(=O)C(F)(F)F)c1ccc(CO)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.49
▸ CNR1 P21554 2/20 0.46
▸ ALOX5 P09917 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PHGDH O43175 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ ACACB O00763 4/20 0.42
▸ HPGD P15428 2/20 0.41
▸ PDE2A O00408 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 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
SCHEMBL19700902 1.00 HTT (0.49) HTTCNR1ALOX5ALDH1A1LMNA
SCHEMBL21399858 0.81 CNR1 (0.49) HTTCNR1ALOX5ALDH1A1MEN1
SCHEMBL19692741 0.81 HTT (0.43) HTTCNR1ALOX5ALDH1A1LMNA
SCHEMBL13953685 0.80 CNR1 (0.48) HTTCNR1ALOX5ALDH1A1MEN1
SCHEMBL958778 0.80 SMN1; SMN2 (0.55) CNR1ALDH1A1LMNA
SCHEMBL1312484 0.80 ACACB (0.55) HTTCNR1ALOX5ALDH1A1MEN1
SCHEMBL3792050 0.80 SMN1; SMN2 (0.55) CNR1ALDH1A1LMNA
SCHEMBL1312488 0.80 ACACB (0.55) HTTCNR1ALOX5ALDH1A1MEN1
SCHEMBL21399933 0.80 CNR1 (0.48) HTTCNR1ALDH1A1MEN1KMT2A
SCHEMBL1312687 0.80 ACACB (0.55) HTTCNR1ALOX5ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-05-16 — — US disclosed
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors ELI LILLY AND COMPANY (US) 2023-04-18 — — US disclosed
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 — — EP disclosed
CN-115109075-A Mutant IDH1 and IDH2 inhibitors 伊莱利利公司 2022-09-27 — — CN disclosed
CN-110072867-B 7-phenylethylamino-4H-pyrimido [4,5-D ] [1,3] oxazin-2-one compounds as inhibitors of mutant IDH1 and IDH2 伊莱利利公司 2022-07-08 — — CN disclosed
CN-109311863-B Mutant IDH1 inhibitors 伊莱利利公司 2021-10-29 — — CN disclosed
US-20210230185-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY 2021-07-29 — — US disclosed
US-20210206780-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY 2021-07-08 — — US disclosed
EP-3763717-A1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE AND PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND CO. (US) 2021-01-13 — — EP disclosed
EP-3555105-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2020-10-28 — — EP disclosed
EP-3464281-B1 MUTANT IDH1 INHIBITORS LILLY CO ELI (US) 2020-07-08 — — EP disclosed
US-10696665-B2 Mutant IDH1 inhibitors ELI LILLY AND COMPANY (US) 2020-06-30 — — US disclosed
EP-3555105-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS Eli Lilly and Company (US) 2019-10-23 — — EP disclosed
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — US disclosed
WO-2018111707-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY (US) 2018-06-21 — — 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 (6 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-11649247-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B HTT 183/4885CNR1 4540/4885ALOX5 4560/4885
US-20210230185-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS IDH2, IDH1, IDH3B HTT 183/4885CNR1 4540/4885ALOX5 4560/4885
US-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A HTT 1352/4885CNR1 4656/4885ALOX5 4728/4885
US-20210206780-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS IDH2, IDH1, IDH3B HTT 183/4885CNR1 4540/4885ALOX5 4560/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A HTT 1352/4885CNR1 4656/4885ALOX5 4728/4885
US-11629156-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B HTT 183/4885CNR1 4540/4885ALOX5 4560/4885

“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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