SCHEMBL25213293

SCHEMBL25213293

CCN1CCC[C@@H](Nc2cc(C)c(-c3ccc(C#N)cc3O)nn2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 1.00
IL1B P01584 6/20 0.57
KCNH2 Q12809 1/20 0.50
CCNT1 O60563 1/20 0.45
CCNK O75909 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK9 P50750 1/20 0.45
CDK12 Q9NYV4 1/20 0.45

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
Formic Acid SCHEMBL25209299 0.96 NLRP3 (1.00) NLRP3IL1BKCNH2
SCHEMBL30833871 0.91 NLRP3 (0.83) NLRP3IL1BKCNH2
SCHEMBL25194198 0.90 NLRP3 (1.00) NLRP3IL1BKCNH2CCNT1CCNK
SCHEMBL25519373 0.88 NLRP3 (0.79) NLRP3IL1BKCNH2CCNT1CCNK
SCHEMBL31042127 0.88 NLRP3 (0.79) NLRP3IL1BKCNH2CCNT1CCNK
SCHEMBL26773537 0.88 NLRP3 (0.78) NLRP3IL1B
SCHEMBL25214158 0.88 NLRP3 (0.78) NLRP3IL1BKCNH2CCNT1CCNK
SCHEMBL26772226 0.86 NLRP3 (0.75) NLRP3IL1BKCNH2
SCHEMBL26772223 0.85 NLRP3 (0.75) NLRP3IL1BKCNH2
SCHEMBL25255374 0.85 NLRP3 (0.73) NLRP3IL1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4433459-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. Hoffmann-La Roche AG (CH) 2024-09-25 EP claimed
US-20240308977-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 HOFFMANN-LA ROCHE INC. (US) 2024-09-19 US claimed
CN-118265701-A Pyridazine derivatives as inhibitors of NLRP3 豪夫迈·罗氏有限公司 2024-06-28 CN claimed
WO-2023088987-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. HOFFMANN-LA ROCHE AG (CH) 2023-05-25 WO claimed
EP-4433459-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. Hoffmann-La Roche AG (CH) 2024-09-25 EP disclosed
US-20240308977-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 HOFFMANN-LA ROCHE INC. (US) 2024-09-19 US disclosed
CN-118265701-A Pyridazine derivatives as inhibitors of NLRP3 豪夫迈·罗氏有限公司 2024-06-28 CN disclosed
WO-2023088987-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. HOFFMANN-LA ROCHE AG (CH) 2023-05-25 WO disclosed
WO-2023088987-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 F. HOFFMANN-LA ROCHE AG (CH) 2023-05-25 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-20240308977-A1 PYRIDAZINE DERIVATIVES AS INHIBITORS OF NLRP3 NLRP3, NLRP1, PYCARD NLRP3 1/4885IL1B 8/4885KCNH2 867/4885

“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.