SCHEMBL15401487

SCHEMBL15401487

COc1ccc(Br)nc1N1CCN(C(=O)OC(C)(C)C)CC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.42
TLR9 Q9NR96 2/20 0.41
SMPD3 Q9NY59 2/20 0.41
SUV39H2 Q9H5I1 4/20 0.41
GPR119 Q8TDV5 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
ALK Q9UM73 3/20 0.39
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GBA1 P04062 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL31652004 0.88 TLR9 (0.51) TLR9SMPD3SUV39H2GPR119ALDH1A1
SCHEMBL17310150 0.88 TLR9 (0.51) TLR9SMPD3SUV39H2GPR119ALDH1A1
SCHEMBL17310110 0.82 GPR119 (0.45) PDE4BTLR9GPR119MMP1MMP3
SCHEMBL17310111 0.82 GPR119 (0.45) PDE4BTLR9GPR119MMP1MMP3
SCHEMBL15401263 0.80 CKS1B (0.44) GPR119ALDH1A1
SCHEMBL20459981 0.79 GPR119 (0.41) GPR119MMP1MMP3MMP7MMP9
SCHEMBL15401484 0.78 CKS1B (0.39) GPR119MMP1MMP3MMP7MMP9
SCHEMBL31651998 0.75 SMPD3 (0.53) TLR9SMPD3SUV39H2GPR119ALDH1A1
SCHEMBL31651790 0.74 TLR9 (0.51) TLR9SMPD3SUV39H2GPR119ALK
SCHEMBL15402418 0.73 MAP4K4 (0.51) SUV39H2

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
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
US-9434725-B2 5-azaindazole compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2016-09-06 US disclosed
EP-2867232-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2015-05-06 EP disclosed
WO-2014001377-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2014-01-03 WO disclosed
US-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE GENENTECH,INC. 2014-01-02 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 (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-20140005168-A1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 PDE4B 873/4885TLR9 4571/4885SMPD3 3131/4885

“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.