SCHEMBL23952159

SCHEMBL23952159

Cc1c[nH]c(C(=O)NN)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 6/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ CREBBP Q92793 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ TAS2R8 Q9NYW2 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DAO P14920 1/20 0.39
▸ HMBS P08397 1/20 0.39
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMYD3 Q9H7B4 1/20 0.38
▸ CCNC P24863 1/20 0.37
▸ CDK8 P49336 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ ALPL P05186 2/20 0.36
▸ NSD2 O96028 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
SCHEMBL18415314 0.82 CREBBP (0.63) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL13753894 0.81 BRD4 (0.44) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL23952165 0.77 GAA (0.55) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL279417 0.77 — —
SCHEMBL23952546 0.76 KDM4E (0.50) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL23952430 0.76 CREBBP (0.67) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL23952548 0.76 ALDH1A1 (0.50) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL23952547 0.76 ALDH1A1 (0.50) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL23952006 0.76 ALDH1A1 (0.54) GAAKDM4EALDH1A1CREBBPBRD4
SCHEMBL23952162 0.74 GAA (0.53) GAAKDM4EALDH1A1CREBBPBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119212699-A NLRP3 inhibitors PTC医疗公司 2024-12-27 — — CN disclosed
EP-4479045-A2 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-12-25 — — EP disclosed
US-20240262806-A1 INHIBITORS OF NLRP3 PCT THERAPEUTICS, INC. (US) 2024-08-08 — — US disclosed
CN-118302417-A NLRP3 inhibitors PTC医疗公司 2024-07-05 — — CN disclosed
EP-4392414-A1 INHIBITORS OF NLRP3 PTC Therapeutics, Inc. (US) 2024-07-03 — — EP disclosed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
WO-2023159148-A2 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-08-24 — — WO disclosed
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
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-2023028534-A1 INHIBITORS OF NLRP3 PTC THERAPEUTICS, INC. (US) 2023-03-02 — — WO 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 (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-20240262806-A1 INHIBITORS OF NLRP3 NLRP3, NOD1, NLRP1 GAA 856/4885KDM4E 2198/4885ALDH1A1 3173/4885
US-20230183248-A1 PYRROLO[1,2-D][1,2,4]TRIAZINE-2-YL-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NLRP1, IL1B GAA 4318/4885KDM4E 3436/4885ALDH1A1 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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