SCHEMBL29660802

SCHEMBL29660802

CC(C)c1nn(CC(=O)Nc2cc(C#N)c3nncn3c2)c(=O)c2sc(C3CC3)nc12

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 15/20 0.72
RORC P51449 2/20 0.32
P2RX3 P56373 1/20 0.32
CBLB Q13191 1/20 0.31
ACHE P22303 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL29660890 0.89 NLRP3 (0.75) NLRP3P2RX3
SCHEMBL23950825 0.77 NLRP3 (0.52) NLRP3
SCHEMBL24077361 0.75 NLRP3 (0.55) NLRP3
SCHEMBL29660812 0.73 NLRP3 (0.63) NLRP3P2RX3
SCHEMBL29030778 0.72 NLRP3 (0.60) NLRP3
SCHEMBL29660806 0.71 NLRP3 (0.59) NLRP3
SCHEMBL29660985 0.70 NLRP3 (0.62) NLRP3P2RX3
SCHEMBL24077077 0.66 NLRP3 (0.66) NLRP3
SCHEMBL25427169 0.65 NLRP3 (0.65) NLRP3
SCHEMBL23950800 0.65 NLRP3 (0.54) NLRP3

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
US-20240043450-A1 NEW COMPOUND JANSSEN PHARMACEUTICA NV (BE) 2024-02-08 US disclosed
EP-4217347-A1 NEW COMPOUNDS JANSSEN Pharmaceutica NV (BE) 2023-08-02 EP disclosed
CN-116194445-A New compounds 詹森药业有限公司 2023-05-30 CN disclosed
WO-2022063896-A1 NEW COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-03-31 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-20240043450-A1 NEW COMPOUND NLRP3, NLRP1, PYCARD NLRP3 1/4885RORC 202/4885P2RX3 42/4885

“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.