SCHEMBL29920814

SCHEMBL29920814

CCN(Cc1nc2cnc3cc(Br)ccc3c2n1Cc1ccc(OC)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ TBXA2R P21731 3/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ PIK3R1 P27986 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ LRRK2 Q5S007 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ TLR7 Q9NYK1 1/20 0.34
▸ CNR2 P34972 1/20 0.34

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
SCHEMBL21949797 1.00 TSPO (0.39) TSPONLRP3TBXA2RMMP1MMP9
SCHEMBL20475942 0.89 TSPO (0.42) TSPOMMP1MMP9MMP13PIK3R1
SCHEMBL30842223 0.89 TSPO (0.42) TSPOMMP1MMP9MMP13PIK3R1
SCHEMBL20475953 0.89 MMP1 (0.43) TSPOTBXA2RMMP1MMP9MMP13
SCHEMBL20741497 0.87 NLRP3 (0.43) TSPONLRP3MMP1MMP9MMP13
SCHEMBL30842206 0.87 NLRP3 (0.43) TSPONLRP3MMP1MMP9MMP13
SCHEMBL21566343 0.83 TSPO (0.41) TSPOTBXA2RLMNAMEN1KMT2A
SCHEMBL26863050 0.82 NLRP3 (0.42) NLRP3LMNAL3MBTL1TLR7CNR2
SCHEMBL20476287 0.81 TLR7 (0.39) TSPONLRP3MMP1MMP9MMP13
SCHEMBL30842214 0.81 TLR7 (0.39) TSPONLRP3MMP1MMP9MMP13

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-12351580-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2025-07-08 — — US disclosed
US-20240067649-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2024-02-29 — — US disclosed
US-11827632-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC (US) 2023-11-28 — — US disclosed
US-20220289736-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2022-09-15 — — 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 (4 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-11827632-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 TSPO 1380/4885NLRP3 1/4885TBXA2R 2373/4885
US-20220289736-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 TSPO 1380/4885NLRP3 1/4885TBXA2R 2373/4885
US-12351580-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 TSPO 1380/4885NLRP3 1/4885TBXA2R 2373/4885
US-20240067649-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 TSPO 1380/4885NLRP3 1/4885TBXA2R 2373/4885

“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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