SCHEMBL23950498

SCHEMBL23950498

COC(=O)Cn1nc(OC)n2nc(C3CC3)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.43
PDE4B Q07343 3/20 0.40
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDE3A Q14432 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 4/20 0.35
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL23950606 0.91 NLRP3 (0.42) NLRP3PDE4BTP53PDE3APOLB
SCHEMBL23950380 0.87 POLB (0.44) NLRP3TSHRSMN1; SMN2TP53NPC1
SCHEMBL23950466 0.84 NLRP3 (0.59) NLRP3PDE4BTSHRSMN1; SMN2TP53
SCHEMBL23950528 0.82 NLRP3 (0.48) NLRP3PDE4BTP53PDE3AKMT2A
SCHEMBL25285708 0.82 NLRP3 (0.48) NLRP3PDE4BTP53PDE3AKMT2A
SCHEMBL23950608 0.80 NLRP3 (0.47) NLRP3PDE4BTP53PDE3AKMT2A
SCHEMBL23950582 0.76 KDM4E (0.41) NLRP3TSHRSMN1; SMN2POLBKMT2A
SCHEMBL23950187 0.74 POLB (0.46) NLRP3POLBKMT2AMDM4MDM2
SCHEMBL25753087 0.73 KMT2A (0.41) NLRP3TP53POLBKMT2AMDM4
SCHEMBL23214228 0.73 LMNA (0.41) TSHRSMN1; SMN2TP53NPC1KMT2A

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 3 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
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 1/4885PDE4B 548/4885TSHR 4052/4885

“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.