SCHEMBL25937345

SCHEMBL25937345

CCOC(=O)C1CC1COc1cccc(OC)c1Br

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.54
CA2 P00918 10/20 0.54
CA9 Q16790 8/20 0.54
CA12 O43570 7/20 0.54
HPGD P15428 2/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
KLK7 P49862 1/20 0.39
FFAR4 Q5NUL3 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
SCHEMBL30800453 1.00 CA1 (0.54) CA1CA2CA9CA12HPGD
SCHEMBL30800464 0.85 FFAR4 (0.52) CA1CA2CA9CA12FFAR4
SCHEMBL25937342 0.85 FFAR4 (0.52) CA1CA2CA9CA12FFAR4
SCHEMBL22123114 0.77 CA1 (0.49) CA1CA2CA9CA12FFAR4
SCHEMBL19321720 0.76 CA1 (0.47) CA1CA2CA9CA12KMT2A
SCHEMBL19321719 0.76 CA1 (0.47) CA1CA2CA9CA12KMT2A
SCHEMBL15056040 0.73 ALDH1A1 (0.52) HPGDALDH1A1KDM4EKMT2AGAA
SCHEMBL20559109 0.73 FFAR4 (0.51) CA1CA2CA9CA12FFAR4
SCHEMBL20559110 0.73 FFAR4 (0.51) CA1CA2CA9CA12FFAR4
SCHEMBL31432541 0.73 PDE4A (0.47) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 CA1 4024/4885CA2 4129/4885CA9 3771/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 CA1 4024/4885CA2 4129/4885CA9 3771/4885

“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.