SCHEMBL25937244

SCHEMBL25937244

COc1cccc(O[C@H]2CC3(C[C@H](NC(=O)OC(C)(C)C)C3)C2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNG1 Q06432 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39
CACNA1E Q15878 1/20 0.39
CACNA2D4 Q7Z3S7 1/20 0.39
CACNA2D3 Q8IZS8 1/20 0.39
CACNG8 Q8WXS5 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
SCHEMBL25937285 0.88 RORC (0.39) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL25937251 0.82 BTK (0.44) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL23889027 0.77 ROCK2 (0.42) PDE4BPARP1ROCK2
SCHEMBL30101667 0.77 KDM1A (0.42) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL24011177 0.74 EPHX2 (0.42) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL25938932 0.72 KDM1A (0.44) CACNA1BCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL30101551 0.72 KDM1A (0.38) CACNA1BPDE4BEPHX2KDM1AMAOB
SCHEMBL25937339 0.72 KDM1A (0.38) CACNA1BPDE4BEPHX2KDM1AMAOB
SCHEMBL24622426 0.72 KDM1A (0.42) EPHX2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL30634806 0.72 PIK3CD (0.40) CACNA1BCACNB4CACNA1ACACNA1GCACNG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-10-05 US disclosed
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2023-07-25 US 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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 CACNA1B 4816/4885CACNB4 4539/4885CACNA1A 4875/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 CACNA1B 4816/4885CACNB4 4539/4885CACNA1A 4875/4885

“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.