SCHEMBL25753891

SCHEMBL25753891

CC(C)c1nn(CC(=O)Nc2ccc3nc(C(F)(F)F)cn3c2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.53
MCHR1 Q99705 2/20 0.40
GPR139 Q6DWJ6 1/20 0.38
ORAI1 Q96D31 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL23951014 0.89 NLRP3 (0.53) NLRP3
SCHEMBL23951009 0.87 NLRP3 (0.52) NLRP3
SCHEMBL23950812 0.85 NLRP3 (0.55) NLRP3
SCHEMBL23950609 0.85 NLRP3 (0.72) NLRP3ORAI1
SCHEMBL23950357 0.84 NLRP3 (0.53) NLRP3
SCHEMBL23950806 0.82 NLRP3 (0.53) NLRP3ORAI1
SCHEMBL23950381 0.82 NLRP3 (0.55) NLRP3ORAI1
SCHEMBL23950611 0.82 NLRP3 (0.53) NLRP3ORAI1
SCHEMBL23950359 0.81 NLRP3 (0.53) NLRP3ORAI1
SCHEMBL23951003 0.81 NLRP3 (0.52) NLRP3GPR139POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 NLRP3 1/4885MCHR1 1420/4885GPR139 1221/4885

“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.