SCHEMBL15401340

SCHEMBL15401340

COC1(C)CN(C(=O)OC(C)(C)C)CCN(c2cccc(Br)n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
MAP4K4 O95819 1/20 0.41
KIF18A Q8NI77 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
BACE1 P56817 2/20 0.38
SUV39H2 Q9H5I1 2/20 0.37
ACHE P22303 2/20 0.37
RORC P51449 2/20 0.37
MAPK8 P45983 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
PBRM1 Q86U86 1/20 0.36
GBA1 P04062 1/20 0.36
PTPN11 Q06124 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
SCHEMBL15401606 0.87 CKS1B (0.43) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL15401261 0.86 GRIN2D (0.37) CKS1BSKP1SKP2ALDH1A1LMNA
SCHEMBL29574323 0.84 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL441495 0.84 CKS1B (0.56) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL1481924 0.80 CKS1B (0.59) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL15401349 0.78 CKS1B (0.45) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL15401263 0.78 CKS1B (0.44) CKS1BSKP1SKP2MAP4K4ALDH1A1
SCHEMBL15400865 0.77 MAP4K1 (0.46) CKS1BSKP1SKP2MAPT
SCHEMBL461584 0.75 CKS1B (0.62) CKS1BSKP1SKP2MAP4K4KIF18A
SCHEMBL4531400 0.74 HRH3 (0.56) CKS1BSKP1SKP2MAP4K4KIF18A

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.