SCHEMBL8225701

SCHEMBL8225701

CC(C)(C)OC(=O)NC1COCC(=O)C1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
BTK Q06187 1/20 0.48
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
EPHX2 P34913 1/20 0.42
CTSK P43235 2/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
EPHX1 P07099 1/20 0.36

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
SCHEMBL18570971 1.00 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL570801 0.83 GAA (0.54) GAABTKNFKB1NFKB2RELA
SCHEMBL8222638 0.83 GAA (0.49) GAABTKNFKB1NFKB2RELA
SCHEMBL20377683 0.81 GAA (0.56) GAABTKNFKB1NFKB2RELA
SCHEMBL9846492 0.80 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL2936974 0.80 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL3307631 0.80 GAA (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL31246142 0.80 BTK (0.53) GAABTKNFKB1NFKB2RELA
SCHEMBL24248759 0.78 GAA (0.51) GAABTKNFKB1NFKB2RELA
SCHEMBL29363535 0.78 GAA (0.53) GAABTKNFKB1NFKB2RELA

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-20240083900-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2024-03-14 US disclosed
EP-4244223-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS Biogen MA Inc. (US) 2023-09-20 EP disclosed
CN-116783199-A Pyrazolo [1,5-A ] pyrazine derivatives as BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-09-19 CN disclosed
WO-2022104079-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2022-05-19 WO disclosed
WO-2022104079-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BIOGEN MA INC. (US) 2022-05-19 WO disclosed
WO-2007136603-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007126745-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-11-08 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 (1 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-20240083900-A1 PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AS BTK INHIBITORS BTK, SYK, LYN GAA 3100/4885BTK 1/4885NFKB1 654/4885

“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.