SCHEMBL23950596

SCHEMBL23950596

Cc1ccncc1NC(=O)Cn1nc(C(C)C)n2nc(C3CC3)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 13/20 0.54
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
MAPT P10636 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.37
KCNH2 Q12809 2/20 0.36
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36

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
SCHEMBL23950540 0.93 NLRP3 (0.54) NLRP3ALDH1A1USP2HPGDRXFP1
SCHEMBL23950533 0.90 NLRP3 (0.53) NLRP3MAPTPOLBKCNH2
SCHEMBL23950626 0.89 NLRP3 (0.52) NLRP3MAPTPOLBTP53
SCHEMBL23950544 0.89 NLRP3 (0.53) NLRP3MAPTPOLBTP53KCNH2
SCHEMBL23950814 0.89 NLRP3 (0.53) NLRP3RXFP1MAPTOPRM1OPRL1
SCHEMBL23950465 0.86 NLRP3 (0.58) NLRP3ALDH1A1HPGDHTTKCNH2
SCHEMBL23951006 0.85 NLRP3 (0.55) NLRP3ALDH1A1USP2HPGDRXFP1
SCHEMBL23950468 0.85 NLRP3 (0.60) NLRP3ALDH1A1MAPTHTT
SCHEMBL23950521 0.84 NLRP3 (0.54) NLRP3ALDH1A1USP2HPGDRXFP1
SCHEMBL23950566 0.84 NLRP3 (0.63) NLRP3OPRM1OPRL1HTTKCNH2

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 1/4885ALDH1A1 268/4885USP2 2095/4885

“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.