SCHEMBL23950377

SCHEMBL23950377

CC(C)c1nn(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2O)c(=O)c2cc(C3CC3)nn12

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.70
TRPV3 Q8NET8 3/20 0.38
KCNH2 Q12809 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND3 P30281 1/20 0.34
CDK6 Q00534 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
CNR1 P21554 1/20 0.34
USP30 Q70CQ3 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33

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
SCHEMBL23950421 0.87 NLRP3 (0.58) NLRP3TRPV3KCNH2CNR1USP30
SCHEMBL25239667 0.84 NLRP3 (0.76) NLRP3KCNH2GPR139
SCHEMBL25284352 0.82 NLRP3 (1.00) NLRP3KCNH2GPR139
SCHEMBL23925407 0.79 NLRP3 (0.68) NLRP3KCNH2GPR139
SCHEMBL23950383 0.77 NLRP3 (0.66) NLRP3KCNH2CDK4CCND1CCND3
SCHEMBL30168561 0.76 NLRP3 (0.49) NLRP3TRPV3GPR119USP30
SCHEMBL25746474 0.76 NLRP3 (0.49) NLRP3TRPV3GPR119USP30
SCHEMBL23950360 0.75 NLRP3 (0.58) NLRP3KCNH2
SCHEMBL30231459 0.75 NLRP3 (0.50) NLRP3GPR119NPC1ALDH1A1MAPT
SCHEMBL23950466 0.74 NLRP3 (0.59) NLRP3KCNH2NPC1RAB9AGPR139

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 2 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
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 1/4885TRPV3 849/4885KCNH2 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.