SCHEMBL15401484

SCHEMBL15401484

CC(C)(C)OC(=O)N1CCN(c2nc(I)ccc2Br)CC(O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
PDE10A Q9Y233 1/20 0.38
GBA1 P04062 2/20 0.38
KCNH2 Q12809 2/20 0.38
BACE1 P56817 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
MAP4K4 O95819 1/20 0.37
MAPK8 P45983 1/20 0.37
CHRNA7 P36544 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 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
SCHEMBL20459981 0.88 GPR119 (0.41) CKS1BSKP1SKP2PDE10AGBA1
SCHEMBL15401487 0.78 PDE4B (0.42) GBA1ALDH1A1MMP1MMP3MMP7
SCHEMBL15401263 0.76 CKS1B (0.44) CKS1BSKP1SKP2PDE10ABACE1
SCHEMBL30112375 0.74 AKR1C3 (0.47) CKS1BSKP1SKP2PDE10AGPR119
SCHEMBL29197774 0.74 AKR1C3 (0.47) CKS1BSKP1SKP2PDE10AGPR119
SCHEMBL30584294 0.74 GBA1 (0.47) CKS1BSKP1SKP2GBA1KCNH2
SCHEMBL26662333 0.74 GBA1 (0.47) CKS1BSKP1SKP2GBA1KCNH2
SCHEMBL21828168 0.73 USP2 (0.52) ALDH1A1MAPTGPR119
SCHEMBL4573123 0.73 GBA1 (0.46) CKS1BSKP1SKP2GBA1KCNH2
SCHEMBL16707804 0.70 GPR119 (0.42) CKS1BSKP1SKP2ALDH1A1LMNA

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 CKS1B 177/4885SKP1 1194/4885SKP2 499/4885

“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.