SCHEMBL25938692

SCHEMBL25938692

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](Oc2c(Cl)cccc2Br)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.47
DRD2 P14416 5/20 0.46
DRD3 P35462 1/20 0.45
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
REN P00797 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KAT6A Q92794 1/20 0.39
KAT5 Q92993 1/20 0.39
HSD11B1 P28845 1/20 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

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
SCHEMBL25938680 0.88 KDM1A (0.44) BTKDRD2DRD3KDM1AMAOB
SCHEMBL25938689 0.87 KDM1A (0.43) BTKDRD2DRD3KDM1AMAOB
SCHEMBL25938797 0.78 PIK3CD (0.41) BTKDRD2DRD3KDM1AMAOB
SCHEMBL24978461 0.77 CACNB4 (0.42) BTKDRD2DRD3KDM1AMAOB
SCHEMBL25938932 0.77 KDM1A (0.44) BTKDRD2DRD3KDM1AMAOB
SCHEMBL25938712 0.77 KDM1A (0.42) BTKDRD2DRD3KDM1AMAOB
SCHEMBL25938734 0.77 KDM1A (0.42) BTKDRD2DRD3KDM1AMAOB
SCHEMBL24977573 0.76 CACNB4 (0.41) BTKDRD2DRD3KDM1AMAOB
SCHEMBL30101667 0.74 KDM1A (0.42) BTKDRD2DRD3KDM1AMAOB
SCHEMBL31614191 0.74 KDM1A (0.41) BTKDRD2KDM1AMAOBKMT2A

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 712/4885DRD2 4867/4885DRD3 4847/4885
US-11707462-B2 Checkpoint kinase 1 (CHK1) inhibitors and uses thereof CHEK1, CHEK2, RAD1 BTK 712/4885DRD2 4867/4885DRD3 4847/4885

“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.