SCHEMBL29676845

SCHEMBL29676845

C[C@H](C(=O)OC(C)(C)C)N1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SDCBP O00560 4/20 0.42
▸ SDC2 P34741 4/20 0.42
▸ GABRA1 P14867 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRB2 P47870 1/20 0.41
▸ THRB P10828 2/20 0.38
▸ GABRA4 P48169 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34

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
SCHEMBL18766179 1.00 SDCBP (0.42) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL18794099 1.00 SDCBP (0.42) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL18766178 1.00 SDCBP (0.42) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL17141805 0.86 SDCBP (0.46) SDCBPSDC2THRBNPC1RAB9A
SCHEMBL18794101 0.85 THRB (0.38) SDCBPSDC2THRBNPC1RAB9A
SCHEMBL18793367 0.85 NPC1 (0.40) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL25921075 0.85 NPC1 (0.40) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL18765504 0.82 SDCBP (0.52) SDCBPSDC2THRBALDH1A1ALOX15
SCHEMBL18765599 0.82 SDCBP (0.52) SDCBPSDC2THRBALDH1A1ALOX15
SCHEMBL2179112 0.82 SDCBP (0.52) SDCBPSDC2THRBALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114948963-B Benzolactam compounds as protein kinase inhibitors 大冢制药株式会社 2025-05-27 — — CN disclosed
CN-110831939-B 6-Pyrimidine-isoindole derivatives as ERK1/2 inhibitors 大冢制药株式会社 2025-05-09 — — CN disclosed
US-20250002481-A1 6-PYRIMIDIN-ISOINDOLE DERIVATIVE AS ERK1/2 INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2025-01-02 — — US disclosed
US-20240287051-A1 PROCESS FOR PREPARING AN ERK INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-08-29 — — US disclosed
EP-3612524-B1 6-PYRIMIDIN-ISOINDOLE DERIVATIVE AS ERK1/2 INHIBITOR OTSUKA PHARMA CO LTD (JP) 2024-08-28 — — EP disclosed
US-12030873-B2 6-pyrimidin-isoindole derivative as ERK1/2 inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-09 — — US disclosed
EP-4352052-A1 PROCESS FOR PREPARING AN ERK INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2024-04-17 — — EP disclosed
WO-2022259222-A1 PROCESS FOR PREPARING AN ERK INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-12-15 — — WO disclosed
CN-114948963-A Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-08-30 — — CN disclosed
US-20220169638-A1 6-PYRIMIDIN-ISOINDOLE DERIVATIVE AS ERK1/2 INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-06-02 — — US disclosed
CN-108617166-B Protein kinase inhibitor benzolactam compounds 大冢制药株式会社 2022-05-17 — — 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 (4 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-20250002481-A1 6-PYRIMIDIN-ISOINDOLE DERIVATIVE AS ERK1/2 INHIBITOR MAPKAPK2, MAP4K2, MAPK1 SDCBP 4450/4885SDC2 4030/4885GABRA1 1678/4885
US-12030873-B2 6-pyrimidin-isoindole derivative as ERK1/2 inhibitor MAPKAPK2, MAP4K2, MAPK1 SDCBP 4450/4885SDC2 4030/4885GABRA1 1678/4885
US-20240287051-A1 PROCESS FOR PREPARING AN ERK INHIBITOR MAP3K8, MAP3K1, MAP3K6 SDCBP 2946/4885SDC2 3525/4885GABRA1 4165/4885
US-20220169638-A1 6-PYRIMIDIN-ISOINDOLE DERIVATIVE AS ERK1/2 INHIBITOR MAPKAPK2, MAP4K2, MAPK1 SDCBP 4450/4885SDC2 4030/4885GABRA1 1678/4885

“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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