SCHEMBL23952546

SCHEMBL23952546

NNC(=O)c1cc(F)c[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.50
▸ GAA P10253 5/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ ALPL P05186 3/20 0.43
▸ MAPK1 P28482 1/20 0.40
▸ CREBBP Q92793 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ALPI P09923 1/20 0.35
▸ ALPG P10696 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP6 P55212 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
SCHEMBL3577523 0.79 ALDH1A1 (0.44) KDM4EGAAALDH1A1CREBBPBRD4
SCHEMBL1299791 0.77 — —
SCHEMBL23952547 0.76 ALDH1A1 (0.50) KDM4EGAAALDH1A1ALPLMAPK1
SCHEMBL23952159 0.76 GAA (0.54) KDM4EGAAALDH1A1ALPLMAPK1
SCHEMBL23952430 0.76 CREBBP (0.67) KDM4EGAAALDH1A1MAPK1CREBBP
SCHEMBL23952548 0.76 ALDH1A1 (0.50) KDM4EGAAALDH1A1ALPLMAPK1
SCHEMBL1969273 0.74 — —
SCHEMBL9875866 0.73 ALDH1A1 (0.47) KDM4EGAAALDH1A1ALPLMAPK1
SCHEMBL23952165 0.73 GAA (0.55) KDM4EGAAALDH1A1MAPK1CREBBP
SCHEMBL17706105 0.72 — —

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-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
WO-2021209539-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-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-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B KDM4E 3436/4885GAA 4318/4885ALDH1A1 898/4885

“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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