SCHEMBL23950416

SCHEMBL23950416

CC(C)c1cc2c(=O)n(CC(=O)Nc3ccncn3)nc(N(C)C)n2n1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 9/20 0.58
NTRK1 P04629 1/20 0.38
OPRM1 P35372 5/20 0.38
OPRL1 P41146 5/20 0.38
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FPR1 P21462 1/20 0.35
FPR3 P25089 1/20 0.35
FPR2 P25090 1/20 0.35
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
TP53 P04637 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL23950444 0.87 NLRP3 (0.69) NLRP3NTRK1TSHRHTTSMN1; SMN2
SCHEMBL23950398 0.85 NLRP3 (0.62) NLRP3NTRK1
SCHEMBL23950434 0.85 NLRP3 (0.65) NLRP3NTRK1OPRM1OPRL1TSHR
SCHEMBL23952170 0.83 NLRP3 (0.64) NLRP3NTRK1OPRM1OPRL1TSHR
SCHEMBL23925592 0.83 NLRP3 (0.66) NLRP3NTRK1TSHRHTTSMN1; SMN2
SCHEMBL23950225 0.83 NLRP3 (0.66) NLRP3NTRK1OPRM1OPRL1TSHR
SCHEMBL23950420 0.81 NLRP3 (0.42) NLRP3HTTFPR1FPR3FPR2
SCHEMBL23950412 0.80 NLRP3 (0.49) NLRP3OPRM1OPRL1TSHRHTT
SCHEMBL23951018 0.80 NLRP3 (0.62) NLRP3NTRK1OPRM1OPRL1TSHR
SCHEMBL30040340 0.80 NLRP3 (0.62) NLRP3NTRK1OPRM1OPRL1TSHR

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 1/4885NTRK1 4081/4885OPRM1 4490/4885

“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.