SCHEMBL25253097

SCHEMBL25253097

Cc1nc(N[C@@H]2CCCN(C)C2)nnc1Br

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.41
BPTF Q12830 1/20 0.40
IL1B P01584 10/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NLRP3 Q96P20 4/20 0.38

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
SCHEMBL25294680 1.00 KAT2B (0.41) KAT2BBPTFIL1BNPC1ALDH1A1
SCHEMBL25302099 0.84 KAT2B (0.39) KAT2BBPTFIL1BNLRP3
SCHEMBL30834035 0.84 NPC1 (0.37) KAT2BNPC1ALDH1A1MAPTHPGD
SCHEMBL25302097 0.84 KAT2B (0.39) KAT2BBPTFIL1BNLRP3
SCHEMBL25294649 0.83 KAT2B (0.45) KAT2BBPTFIL1BNLRP3
SCHEMBL25294648 0.83 KAT2B (0.45) KAT2BBPTFIL1BNLRP3
SCHEMBL25299869 0.80 KAT2B (0.38) KAT2BBPTFIL1BNLRP3
SCHEMBL30833928 0.76 KAT2B (0.33) KAT2BBPTFNPC1ALDH1A1MAPT
SCHEMBL30488506 0.75 BTK (0.50) ALDH1A1MAPT
SCHEMBL30517809 0.75 KAT2B (0.45) KAT2BBPTFIL1BNLRP3

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
US-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-05-15 US disclosed
CN-119798221-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2025-04-11 CN disclosed
EP-4461729-A1 ANTIGEN BINDING PROTEIN TARGETING MSLN AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2024-11-13 EP disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed
CN-116410140-A NLRP3 inflammation corpuscle inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2023-07-11 CN 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-20250152584-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF NLRP3, NLRP1, PYCARD KAT2B 4442/4885BPTF 3278/4885IL1B 7/4885

“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.