SCHEMBL23950412

SCHEMBL23950412

CC(C)c1nn2c(N(C)C)nn(CC(=O)Nc3ccncn3)c(=O)c2c1Br

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 8/20 0.49
OPRM1 P35372 5/20 0.36
OPRL1 P41146 5/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 2/20 0.33
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 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
SCHEMBL23950416 0.80 NLRP3 (0.58) NLRP3OPRM1OPRL1TSHRHTT
SCHEMBL23950411 0.79 CSNK2A2 (0.40) NLRP3HTTALDH1A1LMNA
SCHEMBL23952170 0.77 NLRP3 (0.64) NLRP3OPRM1OPRL1TSHRHTT
SCHEMBL24076319 0.74 NLRP3 (0.67) NLRP3TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL23950975 0.74 GAA (0.37) TSHRHTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL23950225 0.73 NLRP3 (0.66) NLRP3OPRM1OPRL1TSHRHTT
SCHEMBL31305784 0.72 NLRP3 (0.52) NLRP3OPRM1OPRL1TSHRHTT
SCHEMBL23952205 0.71 NLRP3 (0.61) NLRP3OPRM1OPRL1TSHRHTT
SCHEMBL31305735 0.71 NLRP3 (0.51) NLRP3TSHRHTTSMN1; SMN2ALDH1A1
SCHEMBL24077074 0.71 NLRP3 (0.56) NLRP3TSHRHTTSMN1; SMN2ALDH1A1

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 1/4885OPRM1 4490/4885OPRL1 2491/4885

“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.