SCHEMBL25416765

SCHEMBL25416765

COc1cc(C(F)(F)F)ccc1-c1nnc(Cl)c2ccn(C)c12

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.42
SCN9A Q15858 12/20 0.39
SPR P35270 1/20 0.39
CRHR1 P34998 3/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
NR1D1 P20393 1/20 0.36
PDE2A O00408 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
SCHEMBL31309258 0.80 PDE5A (0.46) PDE5ASCN9ASPRCRHR1ALOX5AP
SCHEMBL29276218 0.79 PDE2A (0.44) PDE5ASCN9ASPRCRHR1ALOX5AP
SCHEMBL30995070 0.79 PDE2A (0.44) PDE5ASCN9ASPRCRHR1ALOX5AP
SCHEMBL29242949 0.76 PDE5A (0.41) PDE5ASCN9ASPRCRHR1ALOX5AP
SCHEMBL31309136 0.76 SCN9A (0.46) PDE5ASCN9AALOX5APFEN1
SCHEMBL27354580 0.76 SCN9A (0.46) PDE5ASCN9AALOX5APFEN1
SCHEMBL30181352 0.76 SCN9A (0.46) PDE5ASCN9AALOX5APFEN1
SCHEMBL31235753 0.75 METAP2 (0.42) PDE5ASCN9ASPRCRHR1ALOX5AP
SCHEMBL31235745 0.75 METAP2 (0.42) PDE5ASCN9ASPRCRHR1ALOX5AP
SCHEMBL28934239 0.74 PDE5A (0.48) PDE5ASCN9ASPRCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240409553-A1 HETEROCYCLIC NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-12-12 US disclosed
EP-4433480-A1 HETEROCYCLIC NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-09-25 EP disclosed
CN-118234730-A Heterocyclic NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-06-21 CN disclosed
WO-2023088856-A1 HETEROCYCLIC NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-05-25 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-20240409553-A1 HETEROCYCLIC NLRP3 INHIBITORS NLRP3, NLRP1, NOD1 PDE5A 3097/4885SCN9A 1497/4885SPR 508/4885

“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.