SCHEMBL25753913

SCHEMBL25753913

CC(C)c1nn(CC(=O)NC(=N)/C=C\C(=N)NC(=N)C(F)(F)F)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.53
GPR139 Q6DWJ6 2/20 0.35
KCNH2 Q12809 1/20 0.35
THRB P10828 2/20 0.32

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
SCHEMBL23950631 0.81 NLRP3 (0.53) NLRP3GPR139KCNH2THRB
SCHEMBL25753226 0.78 NLRP3 (0.51) NLRP3GPR139KCNH2THRB
SCHEMBL23950172 0.78 NLRP3 (0.60) NLRP3GPR139KCNH2THRB
SCHEMBL25753974 0.78 NLRP3 (0.53) NLRP3GPR139KCNH2THRB
SCHEMBL23950466 0.76 NLRP3 (0.59) NLRP3GPR139KCNH2
SCHEMBL25242095 0.76 NLRP3 (0.64) NLRP3GPR139KCNH2THRB
SCHEMBL23950801 0.76 NLRP3 (0.58) NLRP3GPR139KCNH2THRB
SCHEMBL23950614 0.76 NLRP3 (0.53) NLRP3GPR139KCNH2
SCHEMBL30040964 0.76 NLRP3 (0.53) NLRP3GPR139KCNH2
SCHEMBL23950629 0.76 NLRP3 (0.53) NLRP3GPR139KCNH2

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 1/4885GPR139 1221/4885KCNH2 2596/4885

“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.