SCHEMBL30108628

SCHEMBL30108628

Cc1cnc(-c2nnc(N[C@@H]3CCCN(C)C3)c3ccccc23)c(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 1.00
IL1B P01584 9/20 0.51
KAT2B Q92831 2/20 0.49
CHEK2 O96017 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL30108655 1.00 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2ALDH1A1
SCHEMBL28963198 1.00 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2ALDH1A1
SCHEMBL28963200 1.00 NLRP3 (1.00) NLRP3IL1BKAT2BCHEK2ALDH1A1
SCHEMBL26436297 0.90 NLRP3 (0.81) NLRP3IL1BKAT2B
SCHEMBL29275846 0.90 NLRP3 (0.81) NLRP3IL1B
SCHEMBL30214151 0.90 NLRP3 (0.81) NLRP3IL1B
SCHEMBL29276147 0.89 NLRP3 (0.81) NLRP3IL1BKAT2BCHEK2
SCHEMBL30214821 0.89 NLRP3 (0.81) NLRP3IL1BKAT2BCHEK2
SCHEMBL29275831 0.89 NLRP3 (0.81) NLRP3IL1BKAT2BCHEK2
SCHEMBL28934418 0.89 NLRP3 (0.79) NLRP3IL1BKAT2BCHEK2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US claimed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN claimed
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 EP disclosed
WO-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
CN-115433163-A NLRP3 inflammasome inhibitor and application thereof 药捷安康(南京)科技股份有限公司 2022-12-06 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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 NLRP3 1/4885IL1B 10/4885KAT2B 4295/4885

“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.