SCHEMBL20475953

SCHEMBL20475953

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ TSPO P30536 2/20 0.42
▸ MAPK8 P45983 1/20 0.42
▸ PTGS2 P35354 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ PDE1B Q01064 1/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TLR7 Q9NYK1 2/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ TBXA2R P21731 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL30842223 0.93 TSPO (0.42) MMP1MMP9MMP13TSPOMAPK8
SCHEMBL20475942 0.93 TSPO (0.42) MMP1MMP9MMP13TSPOMAPK8
SCHEMBL29920814 0.89 TSPO (0.39) MMP1MMP9MMP13TSPOMAPK8
SCHEMBL21949797 0.89 TSPO (0.39) MMP1MMP9MMP13TSPOMAPK8
SCHEMBL20476279 0.85 NLRP3 (0.39) MMP1MMP9MMP13TSPOLMNA
SCHEMBL20475954 0.80 MAPK8 (0.39) MMP1MMP9MMP13MAPK8PIK3R1
SCHEMBL30842235 0.78 TLR7 (0.51) TLR7
SCHEMBL20741482 0.78 TLR7 (0.51) TLR7
SCHEMBL19503120 0.78 TLR7 (0.49) PDE1BTLR7RXFP1
SCHEMBL29280825 0.77 PIK3R1 (0.42) MAPK8PIK3R1PIK3CAPDE1BTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3753938-A1 SUBSTITUTED IMIDAZO-QUINOLINES AS NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2020-12-23 — — EP disclosed
US-20200157096-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 — — US disclosed
EP-3510034-B1 SUBSTITUTED IMIDAZO-QUINOLINES AS NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-04-22 — — EP disclosed
EP-3510034-A1 SUBSTITUTED IMIDAZO-QUINOLINES AS NLRP3 MODULATORS Innate Tumor Immunity, Inc. (US) 2019-07-17 — — EP disclosed
US-20190055236-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. 2019-02-21 — — US disclosed
WO-2018152396-A1 SUBSTITUTED IMIDAZO-QUINOLINES AS NLRP3 MODULATORS INNATE TUMOR IMMUNITY, INC. (US) 2018-08-23 — — 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 (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 MMP1 4572/4885MMP9 4570/4885MMP13 4327/4885
US-20190055236-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 MMP1 4572/4885MMP9 4570/4885MMP13 4327/4885
US-20200157096-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 MMP1 4572/4885MMP9 4570/4885MMP13 4327/4885
US-20240067649-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 MMP1 4572/4885MMP9 4570/4885MMP13 4327/4885

“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.

Send feedback