SCHEMBL21799111

SCHEMBL21799111

CC(C)CC(c1ccc(C(C)NC(=O)C(F)(F)F)cc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 5/20 0.41
▸ CNR1 P21554 1/20 0.38
▸ IDH1 O75874 3/20 0.37
▸ IDH2 P48735 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ TEAD1 P28347 2/20 0.35

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
SCHEMBL21799110 1.00 ACACB (0.41) ACACBCNR1IDH1IDH2ALDH1A1
SCHEMBL21378399 0.89 ACACB (0.41) ACACBCNR1IDH1IDH2ALDH1A1
SCHEMBL21378401 0.89 ACACB (0.41) ACACBCNR1IDH1IDH2ALDH1A1
SCHEMBL20289632 0.86 MAPT (0.44) ACACBCNR1ALDH1A1POLBRAB9A
SCHEMBL20270981 0.85 ACACB (0.47) ACACBIDH1IDH2TEAD1
SCHEMBL20270979 0.85 ACACB (0.47) ACACBIDH1IDH2TEAD1
SCHEMBL21799146 0.85 ACACB (0.47) ACACBIDH1IDH2TEAD1
SCHEMBL21799062 0.84 ACACB (0.43) ACACBCNR1IDH1IDH2
SCHEMBL21799063 0.84 ACACB (0.43) ACACBCNR1IDH1IDH2
SCHEMBL21799120 0.79 ALDH1A1 (0.37) IDH1IDH2ALDH1A1MEN1KMT2A

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 9 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
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
US-11001596-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) 2021-05-11 — — 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
US-20200079791-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY 2020-03-12 — — 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 (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 ACACB 996/4885CNR1 4540/4885IDH1 2/4885
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 ACACB 996/4885CNR1 4540/4885IDH1 2/4885
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 ACACB 996/4885CNR1 4540/4885IDH1 2/4885
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 ACACB 996/4885CNR1 4540/4885IDH1 2/4885
US-20200079791-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS IDH2, IDH1, IDH3B ACACB 996/4885CNR1 4540/4885IDH1 2/4885
US-11001596-B2 7-phenylethylamino-4H-pyrimido[4,5-d][1,3]oxazin-2-one compounds as mutant IDH1 and IDH2 inhibitors IDH2, IDH1, IDH3B ACACB 996/4885CNR1 4540/4885IDH1 2/4885

“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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