SCHEMBL25938680

SCHEMBL25938680

Cc1cccc(Br)c1O[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOB P27338 1/20 0.44
BTK Q06187 4/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 4/20 0.40
PIK3CD O00329 1/20 0.40
EPHX2 P34913 2/20 0.39
HSD11B1 P28845 1/20 0.38
JAK1 P23458 3/20 0.38
JAK2 O60674 1/20 0.38
DRD3 P35462 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
KAT6A Q92794 1/20 0.36
KAT5 Q92993 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
SCHEMBL25938692 0.88 BTK (0.47) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL25938689 0.88 KDM1A (0.43) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL25938932 0.78 KDM1A (0.44) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL24977320 0.77 CACNB4 (0.39) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL25938700 0.76 BTK (0.42) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL30101667 0.75 KDM1A (0.42) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL24977609 0.75 KDM1A (0.40) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL31614191 0.75 KDM1A (0.41) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL25938748 0.75 KDM1A (0.43) KDM1AMAOBBTKKMT2AL3MBTL1
SCHEMBL25938752 0.75 PIK3CD (0.43) KDM1AMAOBBTKKMT2AL3MBTL1

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 KDM1A 1547/4885MAOB 4683/4885BTK 712/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 KDM1A 1547/4885MAOB 4683/4885BTK 712/4885

“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.