SCHEMBL4589328

SCHEMBL4589328

CCCCCn1nc(N)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.50
SLC9A1 P19634 4/20 0.50
MPO P05164 3/20 0.49
CNR2 P34972 6/20 0.48
TLR8 Q9NR97 3/20 0.48
GLS O94925 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43

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
SCHEMBL10370542 0.88 GLS (0.47) CNR1SLC9A1CNR2TLR8GLS
SCHEMBL10831157 0.87 CNR1 (0.41) CNR1SLC9A1MPOCNR2TLR8
SCHEMBL10369151 0.82 SLC6A4 (0.47) GLS
SCHEMBL30860204 0.81 SCN9A (0.47) CNR1MPOCNR2GLS
SCHEMBL14216404 0.81 SLC9A1 (0.43) SLC9A1GLSPDE4APDE4BPDE4C
SCHEMBL3105522 0.80 GLS (0.45) CNR1CNR2GLS
SCHEMBL31475706 0.79 SLC9A1 (0.51) CNR1SLC9A1MPOCNR2TLR8
SCHEMBL3049374 0.79 ADRA1A (0.49) CNR1SLC9A1MPOCNR2GLS
SCHEMBL10831636 0.79 GLS (0.45) CNR2GLS
SCHEMBL17045395 0.78 SCN9A (0.46) GLS

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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AG (DE) 2008-09-18 US disclosed
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS ASTRAZENECA AB (SE) 2008-08-07 US disclosed
WO-2008055710-A1 INDOLE AND INDAZOLE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT 2008-05-15 WO disclosed
WO-2008055709-A1 INDAZOLE AND INDOLE DERIVATIVES AS ANTI -INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-15 WO disclosed
EP-1921067-A1 Indole and indazole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
EP-1921068-A1 Indazole and indole derivatives as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-14 EP disclosed
WO-2008052808-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
EP-1917963-A1 Cyclic phenyl-substituted indazols, a process for their production and their use as anti-inflammatory agents Bayer Schering Pharma Aktiengesellschaft (DE) 2008-05-07 EP 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-20080227820-A1 CYCLIC PHENYL-SUBSTITUTED INDAZOLS, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS PTGIS, PTGS1, PTGES CNR1 856/4885SLC9A1 4194/4885MPO 34/4885
US-20080188666-A1 LINEAR PHENYL-SUBSTITUTED INDAZOLES AND INDOLES, A PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS IDO1, IL1B, IDO2 CNR1 731/4885SLC9A1 4646/4885MPO 76/4885

“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.