SCHEMBL15401407

SCHEMBL15401407

CC(C)(C)OC(=O)N1CCCN(c2cncc(Br)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.59
SKP1 P63208 2/20 0.59
SKP2 Q13309 2/20 0.59
GPR119 Q8TDV5 6/20 0.48
MAP4K4 O95819 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 2/20 0.43
PDE10A Q9Y233 1/20 0.43
PTPN11 Q06124 1/20 0.41
GALR2 O43603 1/20 0.41
GALR1 P47211 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GBA1 P04062 1/20 0.41

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
SCHEMBL1432688 0.95 CKS1B (0.56) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL38666414 0.86 CKS1B (0.59) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL1481924 0.83 CKS1B (0.59) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL4431585 0.81 HRH3 (0.56) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL23560770 0.81 CKS1B (0.57) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL15401271 0.81 PIM2 (0.42) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL1432444 0.80 CKS1B (0.56) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL31149550 0.80 CYP11B2 (0.47) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL3808153 0.79 CKS1B (0.55) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL594028 0.79 CKS1B (0.59) CKS1BSKP1SKP2GPR119MAP4K4

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.