SCHEMBL25248792

SCHEMBL25248792

Cn1cnc2c1c(=O)n(CC(=O)OCCCBr)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 7/20 0.62
▸ TNF P01375 5/20 0.62
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ PMP22 Q01453 1/20 0.55
▸ PDE4B Q07343 1/20 0.55
▸ PDE4C Q08493 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ GLA P06280 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL29854228 0.81 ADORA2B (0.65) ADORA2BTNFLMNATSHRUSP2
SCHEMBL7315040 0.80 ADORA2B (0.67) ADORA2BTNFLMNATSHRUSP2
SCHEMBL30563573 0.79 ADORA2B (0.51) ADORA2BTNFLMNATSHRUSP2
SCHEMBL25249607 0.79 ADORA2B (0.51) ADORA2BTNFLMNATSHRUSP2
SCHEMBL7305272 0.79 ADORA2B (0.70) ADORA2BTNFLMNATSHRUSP2
SCHEMBL25248989 0.79 ADORA2B (0.68) ADORA2BTNFLMNATSHRUSP2
SCHEMBL29557696 0.79 ADORA2B (0.65) ADORA2BTNFLMNATSHRUSP2
SCHEMBL8651155 0.79 TNF (0.66) ADORA2BTNFLMNATSHRUSP2
SCHEMBL7316168 0.78 ADORA2B (0.68) ADORA2BTNFLMNATSHRUSP2
SCHEMBL8013542 0.78 ADORA2B (0.68) ADORA2BTNFLMNATSHRUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC 2025-02-27 — — US disclosed
EP-4452279-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION Metro International Biotech, LLC (US) 2024-10-30 — — EP disclosed
US-11878994-B1 Compositions for treatment of inflammation METRO INTERNATIONAL BIOTECH, LLC (US) 2024-01-23 — — US disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 — — WO disclosed
WO-2023122190-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION METRO INTERNATIONAL BIOTECH, LLC (US) 2023-06-29 — — 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 (2 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-20250066413-A1 COMPOSITIONS FOR TREATMENT OF INFLAMMATION NQO1, NAMPT, MPO ADORA2B 1104/4885TNF 21/4885LMNA 1812/4885
US-11878994-B1 Compositions for treatment of inflammation NQO1, NAMPT, MPO ADORA2B 1104/4885TNF 21/4885LMNA 1812/4885

“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.

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