SCHEMBL19700717

SCHEMBL19700717

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ACACB O00763 9/20 0.46
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ IDH1 O75874 4/20 0.39
▸ IDH2 P48735 3/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38

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
SCHEMBL20289697 1.00 ALDH1A1 (0.47) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL22186807 1.00 ALDH1A1 (0.47) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL21378569 0.88 MAPT (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL19700725 0.88 MAPT (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20289586 0.88 MAPT (0.45) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL20289632 0.87 MAPT (0.44) ALDH1A1NPC1MAPTMAPK1HTT
SCHEMBL21799146 0.87 ACACB (0.47) ACACBIDH1IDH2
SCHEMBL20270979 0.87 ACACB (0.47) ACACBIDH1IDH2
SCHEMBL20270981 0.87 ACACB (0.47) ACACBIDH1IDH2
SCHEMBL19700719 0.87 SMN1; SMN2 (0.43) ALDH1A1NPC1MAPTMAPK1HTT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559505-B2 IDH mutant inhibitor and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2026-02-24 — — US disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 — — US disclosed
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2024-06-27 — — US disclosed
CN-117460512-A IDH mutant inhibitors and uses thereof 微境生物医药科技(上海)有限公司 2024-01-26 — — CN disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — US disclosed
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-06-08 — — US disclosed
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-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-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
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-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
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
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
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 — — 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 ALDH1A1 66/4885NPC1 3980/4885MAPT 1832/4885
US-12559505-B2 IDH mutant inhibitor and use thereof IDH3A, IDH1, IDH3B ALDH1A1 291/4885NPC1 1430/4885MAPT 2300/4885
US-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A ALDH1A1 260/4885NPC1 1905/4885MAPT 3706/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A ALDH1A1 260/4885NPC1 1905/4885MAPT 3706/4885
US-20230174550-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B ALDH1A1 123/4885NPC1 2367/4885MAPT 2754/4885
US-20240208978-A1 IDH MUTANT INHIBITOR AND USE THEREOF IDH1, IDH3A, IDH3B ALDH1A1 99/4885NPC1 3118/4885MAPT 3538/4885

“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.

Send feedback