SCHEMBL30643117

SCHEMBL30643117

Brc1ccc2c(c1)C1(CCC2)SCCS1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.44
APP P05067 2/20 0.44
KDM1A O60341 3/20 0.42
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PNMT P11086 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
CMA1 P23946 1/20 0.32
AHR P35869 1/20 0.32
AKR1B1 P15121 2/20 0.32
METAP1 P53582 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
TDP2 O95551 1/20 0.30
PARP1 P09874 1/20 0.30
PARP10 Q53GL7 1/20 0.30

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
SCHEMBL14053247 0.88 BACE1 (0.38) BACE1APPKDM1ATDP1L3MBTL1
SCHEMBL31277560 0.79 KDM1A (0.51) BACE1KDM1AAKR1B1
SCHEMBL3698761 0.79 KDM1A (0.51) BACE1KDM1AAKR1B1
SCHEMBL8311211 0.79 KDM1A (0.34) BACE1APPKDM1ATDP1L3MBTL1
SCHEMBL25672610 0.77 KDM1A (0.40) BACE1APPKDM1ATDP1L3MBTL1
SCHEMBL8312567 0.73 PNMT (0.40) BACE1TDP1PNMTAKR1B1LMNA
SCHEMBL20449248 0.73 BACE1 (0.48) BACE1APPKDM1ATDP1L3MBTL1
SCHEMBL2012588 0.73 BACE1 (0.51) BACE1APPKDM1APNMTASIC3
SCHEMBL24275639 0.70 BACE1 (0.49) BACE1APPKDM1APNMTASIC3
SCHEMBL17920089 0.70 BACE1 (0.49) BACE1APPKDM1ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519267-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene, Ltd. (KY) 2025-03-12 EP disclosed
US-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2025-02-27 US disclosed
CN-119156389-A Heterocyclic compounds, compositions thereof and methods of treatment thereof 百济神州有限公司 2024-12-17 CN disclosed
WO-2023213271-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE , LTD. (KY) 2023-11-09 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 (1 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-20250066372-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CDK1, CDK2, CDK4 BACE1 1532/4885APP 3381/4885KDM1A 1122/4885

“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.