SCHEMBL15401348

SCHEMBL15401348

C[Si](C)(C)CCOCn1ncc2cnc(-c3cn[nH]c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
ROCK1 Q13464 2/20 0.34
AURKA O14965 1/20 0.34
GRK2 P25098 1/20 0.34
RPS6KA1 Q15418 1/20 0.34
LRRK2 Q5S007 3/20 0.33
ROCK2 O75116 2/20 0.32
MAPT P10636 1/20 0.32
DGAT1 O75907 2/20 0.32
CLK2 P49760 3/20 0.32
HIPK1 Q86Z02 3/20 0.32
HIPK2 Q9H2X6 3/20 0.32
CLK4 Q9HAZ1 3/20 0.32
DYRK2 Q92630 2/20 0.32
PRKDC P78527 1/20 0.31
HIPK3 Q9H422 2/20 0.31
CLK1 P49759 1/20 0.31
CHEK1 O14757 1/20 0.31

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
SCHEMBL15401249 0.79 PIM1 (0.45) PIM1PIM3PIM2MAPTDGAT1
SCHEMBL15401596 0.78 PTGS2 (0.31) PIM1PIM3PIM2MAPT
SCHEMBL30173195 0.77 DGAT1 (0.35) MAPTDGAT1
SCHEMBL25967058 0.77 DGAT1 (0.35) MAPTDGAT1
SCHEMBL15400514 0.77 DGAT1 (0.35) MAPTDGAT1
SCHEMBL25345498 0.77 DGAT1 (0.42) DGAT1
SCHEMBL15400502 0.77 PIM1 (0.48) PIM1PIM3PIM2DGAT1
SCHEMBL25345157 0.72 DGAT1 (0.45) DGAT1
SCHEMBL17258655 0.71 DGAT1 (0.35) DGAT1
SCHEMBL25345164 0.70 RIPK1 (0.35) LRRK2DGAT1

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 7 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
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 PIM1 1/4885PIM3 2/4885PIM2 3/4885

“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.