SCHEMBL23950629

SCHEMBL23950629

CC(C)c1nn(CC(=O)Nc2ccc(C(F)(F)F)nn2)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.53
POLB P06746 1/20 0.38
P2RX3 P56373 1/20 0.38
GPR139 Q6DWJ6 2/20 0.37
ORAI1 Q96D31 1/20 0.37
KCNH2 Q12809 1/20 0.35

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
SCHEMBL30040964 1.00 NLRP3 (0.53) NLRP3POLBP2RX3GPR139ORAI1
SCHEMBL23950358 0.90 NLRP3 (0.57) NLRP3P2RX3GPR139ORAI1KCNH2
SCHEMBL25753969 0.89 NLRP3 (0.55) NLRP3ORAI1KCNH2
SCHEMBL23950182 0.88 NLRP3 (0.53) NLRP3P2RX3GPR139KCNH2
SCHEMBL25753970 0.88 NLRP3 (0.55) NLRP3GPR139ORAI1KCNH2
SCHEMBL23950614 0.86 NLRP3 (0.53) NLRP3POLBP2RX3GPR139KCNH2
SCHEMBL23950215 0.86 NLRP3 (0.50) NLRP3GPR139KCNH2
SCHEMBL23950615 0.83 NLRP3 (0.55) NLRP3GPR139KCNH2
SCHEMBL23951003 0.83 NLRP3 (0.52) NLRP3POLBP2RX3GPR139
SCHEMBL23950218 0.82 NLRP3 (0.53) NLRP3GPR139

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 5 patents. 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
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
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
CN-115427110-A Pyrazolo [1,5-D ] [1,2,4] triazine-5 (4H) acetamide as an NLRP3 inflammatory pathway inhibitor 詹森药业有限公司 2022-12-02 CN disclosed
WO-2021209552-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2021-10-21 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-20230203044-A1 PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME NLRP3, PYCARD, NLRP1 NLRP3 1/4885POLB 4527/4885P2RX3 33/4885

“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.