SCHEMBL21378381

SCHEMBL21378381

CCC(Cl)c1ccc(C(C)NC(=O)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 2/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HDAC3 O15379 3/20 0.41
▸ HDAC4 P56524 3/20 0.41
▸ HDAC1 Q13547 3/20 0.41
▸ HDAC6 Q9UBN7 3/20 0.41
▸ ACACB O00763 3/20 0.41
▸ HTT P42858 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL19700718 1.00 CNR1 (0.44) CNR1MEN1KMT2AHDAC3HDAC4
SCHEMBL20289736 0.87 CNR1 (0.44) CNR1MEN1KMT2AHDAC3HDAC4
SCHEMBL22572280 0.87 CNR1 (0.44) CNR1MEN1KMT2AHDAC3HDAC4
SCHEMBL21399933 0.84 CNR1 (0.48) CNR1MEN1KMT2AHDAC3HDAC4
SCHEMBL21378363 0.83 CNR1 (0.45) CNR1MEN1KMT2AHDAC3HDAC4
SCHEMBL19700693 0.83 CNR1 (0.45) CNR1MEN1KMT2AHDAC3HDAC4
SCHEMBL20289695 0.82 ACACB (0.48) CNR1ACACB
SCHEMBL20289737 0.82 ACACB (0.48) CNR1ACACB
SCHEMBL21799124 0.82 ACACB (0.48) CNR1ACACB
SCHEMBL21399858 0.79 CNR1 (0.49) CNR1MEN1KMT2AHDAC3HDAC4

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 14 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-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
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
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
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
US-20190292175-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY 2019-09-26 — — US disclosed
CN-109311863-A Saltant type IDH1 inhibitor 伊莱利利公司 2019-02-05 — — CN 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 (8 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 CNR1 4540/4885MEN1 1109/4885KMT2A 64/4885
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 CNR1 4540/4885MEN1 1109/4885KMT2A 64/4885
US-10696665-B2 Mutant IDH1 inhibitors IDH1, IDH3B, IDH3A CNR1 4656/4885MEN1 418/4885KMT2A 695/4885
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 CNR1 4540/4885MEN1 1109/4885KMT2A 64/4885
US-20190292175-A1 MUTANT IDH1 INHIBITORS IDH1, IDH3B, IDH3A CNR1 4656/4885MEN1 418/4885KMT2A 695/4885
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 CNR1 4540/4885MEN1 1109/4885KMT2A 64/4885
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 CNR1 4540/4885MEN1 1109/4885KMT2A 64/4885
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 CNR1 4540/4885MEN1 1109/4885KMT2A 64/4885

“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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