SCHEMBL22798982

SCHEMBL22798982

CC(C)(C)OC(=O)NC(C(=O)c1ccccc1)C1(C)CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
PPARA Q07869 6/20 0.39
PPARG P37231 5/20 0.39
PPARD Q03181 2/20 0.39
IDO1 P14902 1/20 0.38
CTSK P43235 4/20 0.38
CTSS P25774 4/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
GABRB1 P18505 1/20 0.36
GABRB2 P47870 1/20 0.36
MAPT P10636 1/20 0.36
EPHX2 P34913 1/20 0.36
ACE P12821 1/20 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
SCHEMBL23002534 0.83 OPRM1 (0.39) ATMGABRB1GABRB2MAPT
SCHEMBL3593948 0.76 OPRM1 (0.39) ATMPPARAPPARGIDO1CTSK
SCHEMBL15105955 0.74 CA1 (0.40) ATMCTSKCTSSCTSLCTSB
SCHEMBL2377936 0.74 CA1 (0.40) ATMCTSKCTSSCTSLCTSB
SCHEMBL2377942 0.74 CA1 (0.40) ATMCTSKCTSSCTSLCTSB
SCHEMBL2281947 0.74 ATM (0.48) ATMPPARAPPARGCTSKCTSS
SCHEMBL15432503 0.72 PPARA (0.48) ATMPPARAPPARGPPARDCTSK
SCHEMBL3740636 0.72 PPARA (0.48) ATMPPARAPPARGPPARDCTSK
SCHEMBL23619006 0.72 PPARA (0.48) ATMPPARAPPARGPPARDCTSK
SCHEMBL20054311 0.72 CA1 (0.40) ATMCTSKCTSSCTSL

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
EP-3753941-B1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO LTD (CN) 2024-05-01 EP disclosed
CN-115448923-B Pyrimidine-fused ring compound, preparation method and application thereof 上海青煜医药科技有限公司 2024-03-22 CN disclosed
CN-115448923-A Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-12-09 CN disclosed
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof Blueray Therapeutics (Shanghai) Co., Ltd (CN) 2022-11-15 US disclosed
CN-110156786-B Pyrimido-cyclic compounds, process for their preparation and their use 青煜医药研发(上海)有限公司 2022-06-03 CN disclosed
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI BLUERAY BIOPHARMA CO., LTD. (CN) 2021-02-25 US disclosed
EP-3753941-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Blueray Biopharma Co., Ltd. (CN) 2020-12-23 EP disclosed
CN-110655520-A Pyrimido-cyclic compounds, process for their preparation and their use 上海青煜医药科技有限公司 2020-01-07 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 (2 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-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF ATM 2285/4885PPARA 487/4885PPARG 471/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF ATM 2285/4885PPARA 487/4885PPARG 471/4885

“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.