SCHEMBL21799146

SCHEMBL21799146

C[C@H](NC(=O)C(F)(F)F)c1ccc([C@H](CC2CC2)N2CCN(C(=O)O)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 9/20 0.47
▸ IDH1 O75874 9/20 0.41
▸ IDH2 P48735 4/20 0.41
▸ TEAD1 P28347 2/20 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
SCHEMBL20270979 1.00 ACACB (0.47) ACACBIDH1IDH2TEAD1
SCHEMBL20270981 1.00 ACACB (0.47) ACACBIDH1IDH2TEAD1
SCHEMBL20289697 0.87 ALDH1A1 (0.47) ACACBIDH1IDH2
SCHEMBL22186807 0.87 ALDH1A1 (0.47) ACACBIDH1IDH2
SCHEMBL19700717 0.87 ALDH1A1 (0.47) ACACBIDH1IDH2
SCHEMBL21378401 0.86 ACACB (0.41) ACACBIDH1IDH2
SCHEMBL21378399 0.86 ACACB (0.41) ACACBIDH1IDH2
SCHEMBL21799111 0.85 ACACB (0.41) ACACBIDH1IDH2TEAD1
SCHEMBL21799110 0.85 ACACB (0.41) ACACBIDH1IDH2TEAD1
SCHEMBL21799062 0.82 ACACB (0.43) ACACBIDH1IDH2

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 8 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-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 996/4885IDH1 2/4885IDH2 1/4885
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 996/4885IDH1 2/4885IDH2 1/4885
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 996/4885IDH1 2/4885IDH2 1/4885
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 996/4885IDH1 2/4885IDH2 1/4885
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 996/4885IDH1 2/4885IDH2 1/4885
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 996/4885IDH1 2/4885IDH2 1/4885

“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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