SCHEMBL29660812

SCHEMBL29660812

CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2sc(C3CC3)nc12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 14/20 0.63
P2RX3 P56373 2/20 0.38
F10 P00742 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34

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
SCHEMBL29660853 0.85 NLRP3 (0.50) NLRP3F10SMN1; SMN2TSHRHTT
SCHEMBL29030778 0.80 NLRP3 (0.60) NLRP3SMN1; SMN2
SCHEMBL29660985 0.78 NLRP3 (0.62) NLRP3P2RX3
SCHEMBL29660806 0.78 NLRP3 (0.59) NLRP3SMN1; SMN2TSHR
SCHEMBL31305786 0.78 NLRP3 (0.55) NLRP3F10SMN1; SMN2TSHRHTT
SCHEMBL24077258 0.78 NLRP3 (0.53) NLRP3P2RX3SMN1; SMN2TSHRHTT
SCHEMBL31305701 0.76 NLRP3 (0.50) NLRP3SMN1; SMN2TSHRHTT
SCHEMBL31305708 0.75 NLRP3 (0.54) NLRP3F10SMN1; SMN2TSHRHTT
SCHEMBL29660890 0.75 NLRP3 (0.75) NLRP3P2RX3
SCHEMBL29660802 0.73 NLRP3 (0.72) NLRP3P2RX3

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 1/4885P2RX3 42/4885F10 2879/4885

“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.