SCHEMBL30101547

SCHEMBL30101547

COc1c(C)ccc(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)c1-c1ccno1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.36
PIK3CD O00329 1/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 1/20 0.36
CACNB2 Q08289 1/20 0.36
CACNA1S Q13698 1/20 0.36
CACNA1C Q13936 1/20 0.36
CACNA1E Q15878 1/20 0.36
CACNA2D4 Q7Z3S7 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
SCHEMBL24977610 1.00 BTK (0.36) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL30634781 0.85 JAK1 (0.38) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL30101584 0.84 PIK3CD (0.37) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL24977758 0.84 PIK3CD (0.37) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL30634789 0.83 PIK3CD (0.39) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL30634772 0.81 PIK3CD (0.39) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL30634799 0.80 PIK3CD (0.36) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL24977609 0.80 KDM1A (0.40) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL24978200 0.79 BTK (0.40) BTKPIK3CDCACNB4CACNA1ACACNA1G
SCHEMBL30101520 0.79 BTK (0.40) BTKPIK3CDCACNB4CACNA1ACACNA1G

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-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof BOUNDLESS BIO, INC. (US) 2026-01-20 US disclosed
EP-4347582-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF Boundless Bio, Inc. (US) 2024-04-10 EP disclosed
CN-117715905-A Checkpoint kinase 1 (CHK 1) inhibitors and uses thereof 无界生物公司 2024-03-15 CN disclosed
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
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. 2023-01-26 US disclosed
WO-2022251502-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF BOUNDLESS BIO, INC. (US) 2022-12-01 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 (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-20230310423-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 BTK 712/4885PIK3CD 836/4885CACNB4 4539/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 BTK 712/4885PIK3CD 836/4885CACNB4 4539/4885
US-20230026313-A1 CHECKPOINT KINASE 1 (CHK1) INHIBITORS AND USES THEREOF CHEK1, CHEK2, RAD1 BTK 712/4885PIK3CD 836/4885CACNB4 4539/4885
US-12527790-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, RAD1, CHEK2 BTK 628/4885PIK3CD 934/4885CACNB4 4439/4885

“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.