SCHEMBL25938700

SCHEMBL25938700

Cc1cc(Br)c(O[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.42
PIK3CD O00329 2/20 0.39
AR P10275 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
AAK1 Q2M2I8 2/20 0.36
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CACNB4 O00305 1/20 0.35
CACNA1A O00555 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNG3 O60359 1/20 0.35
CACNA1F O60840 1/20 0.35
CACNA1H O95180 1/20 0.35
CACNB3 P54284 1/20 0.35
CACNA2D1 P54289 1/20 0.35
CACNG7 P62955 1/20 0.35

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
SCHEMBL25938780 0.83 PIK3CD (0.41) BTKPIK3CDARKDM1AMAOB
SCHEMBL31614191 0.82 KDM1A (0.41) BTKPIK3CDKDM1AMAOBAAK1
SCHEMBL25938729 0.80 CACNB4 (0.40) BTKPIK3CDARKDM1AMAOB
SCHEMBL25938738 0.80 CACNB4 (0.40) BTKPIK3CDARKDM1AMAOB
SCHEMBL25938706 0.80 KDM1A (0.43) BTKPIK3CDKDM1AMAOBKAT6A
SCHEMBL25938731 0.80 KDM1A (0.43) BTKPIK3CDKDM1AMAOBKAT6A
SCHEMBL25938760 0.79 PIK3CD (0.42) BTKPIK3CDKDM1AMAOBNFKB1
SCHEMBL28529931 0.78 BTK (0.44) BTKPIK3CDKDM1AMAOBKAT6A
SCHEMBL21503612 0.78 BTK (0.44) BTKPIK3CDKDM1AMAOBKAT6A
SCHEMBL28529932 0.78 BTK (0.44) BTKPIK3CDKDM1AMAOBKAT6A

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 BTK 712/4885PIK3CD 836/4885AR 3609/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 BTK 712/4885PIK3CD 836/4885AR 3609/4885

“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.