SCHEMBL21287147

SCHEMBL21287147

CC(C)(C)OC(=O)N[C@@H]1COCC12CCNCC2

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.47
▸ BTK Q06187 1/20 0.36
▸ EPHX2 P34913 1/20 0.34
▸ CTSK P43235 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HCRTR2 O43614 1/20 0.31
▸ KDM1A O60341 1/20 0.30
▸ MAOB P27338 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL8319039 0.81 GAA (0.39) GAABTKEPHX2CTSKNFKB1
SCHEMBL6647550 0.80 GAA (0.38) GAABTKEPHX2CTSKNFKB1
SCHEMBL21580871 0.80 GAA (0.38) GAABTKEPHX2CTSKNFKB1
SCHEMBL31598447 0.80 GAA (0.38) GAABTKEPHX2CTSKNFKB1
SCHEMBL21287439 0.80 BTK (0.39) GAABTKEPHX2CTSKNFKB1
SCHEMBL22495546 0.80 BTK (0.39) GAABTKEPHX2CTSKNFKB1
SCHEMBL21287159 0.80 BTK (0.39) GAABTKEPHX2CTSKNFKB1
Hydrochloric Acid SCHEMBL23850393 0.79 GAA (0.38) GAABTKEPHX2CTSKNFKB1
SCHEMBL24613844 0.79 GAA (0.47) GAABTKEPHX2CTSKNFKB1
SCHEMBL14690682 0.79 GAA (0.47) GAABTKEPHX2CTSKNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — US disclosed
US-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — US disclosed
EP-4165033-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2023-04-19 — — EP 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
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
WO-2019158019-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海青煜医药科技有限公司 2019-08-22 — — 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 (3 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-20230192705-A1 SHP2 INHIBITORS, COMPOSITIONS AND USES THEREOF PTPN1, PTPN7, PTPN22 GAA 1010/4885BTK 64/4885EPHX2 1462/4885
US-11498930-B2 Pyrimidine-fused cyclic compound, preparation method therefor and application thereof PTPN11, PPM1F, PTPRF GAA 1464/4885BTK 194/4885EPHX2 2404/4885
US-20210053989-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF PTPN11, PPM1F, PTPRF GAA 1464/4885BTK 194/4885EPHX2 2404/4885

“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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