SCHEMBL25816770

SCHEMBL25816770

COC(=O)Cn1nc(C(C)C)n2cc(C(P)P)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 10/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TSHR P16473 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 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
SCHEMBL23925365 0.81 NLRP3 (0.45) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL23952037 0.81 NLRP3 (0.45) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL25816710 0.81 NLRP3 (0.51) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL23952027 0.81 NLRP3 (0.44) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL23952567 0.80 NLRP3 (0.50) NLRP3SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL23952019 0.80 NLRP3 (0.43) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL23952020 0.79 NLRP3 (0.41) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL23952151 0.79 NLRP3 (0.44) NLRP3SMN1; SMN2TP53NPC1RAB9A
SCHEMBL23952591 0.79 NLRP3 (0.55) NLRP3LMNA
SCHEMBL23925304 0.79 NLRP3 (0.43) NLRP3SMN1; SMN2TP53NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US 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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B NLRP3 1/4885SMN1; SMN2 4513/4885TP53 2459/4885

“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.