SCHEMBL15401351

SCHEMBL15401351

CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc(Cl)ccc2F)C1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.55
JAK3 P52333 3/20 0.55
MAP4K4 O95819 2/20 0.52
PDE10A Q9Y233 2/20 0.51
AURKA O14965 3/20 0.46
PDPK1 O15530 3/20 0.46
AURKB Q96GD4 3/20 0.46
F10 P00742 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
SYK P43405 1/20 0.44
LCK P06239 2/20 0.44
EGFR P00533 1/20 0.44
KDM4D Q6B0I6 1/20 0.43
KIF18A Q8NI77 1/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
SUV39H2 Q9H5I1 2/20 0.42

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
SCHEMBL28930758 0.81 PDE10A (0.49) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL28930757 0.81 PDE10A (0.49) BTKJAK3MAP4K4PDE10ASYK
SCHEMBL22581681 0.80 BTK (0.56) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL31200683 0.80 BTK (0.61) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL29932585 0.80 BTK (0.61) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL23497797 0.80 BTK (0.61) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL30451537 0.80 BTK (0.61) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL29017689 0.80 BTK (0.61) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL27424358 0.80 BTK (0.61) BTKJAK3MAP4K4PDE10AAURKA
SCHEMBL31124490 0.78 BTK (0.54) BTKJAK3MAP4K4PDE10AAURKA

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 BTK 875/4885JAK3 284/4885MAP4K4 70/4885

“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.