SCHEMBL6419231

SCHEMBL6419231

CC(C)N(C(=O)C(F)(F)F)c1ccc2c(c1)nc(N)n2CC(C)(C)O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.37
CNR2 P34972 4/20 0.36
ITK Q08881 2/20 0.34
INSR P06213 1/20 0.34
F2R P25116 1/20 0.34
JAK2 O60674 2/20 0.33
JAK1 P23458 2/20 0.33
TYK2 P29597 2/20 0.33
JAK3 P52333 2/20 0.33
TLR7 Q9NYK1 1/20 0.33
EGFR P00533 5/20 0.33
TLR8 Q9NR97 1/20 0.32
NUDT1 P36639 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL6419229 0.88 CNR2 (0.37) CNR2ITKINSRJAK2JAK1
SCHEMBL6274413 0.86 ITK (0.39) BACE1CNR2ITKINSRF2R
SCHEMBL14708857 0.80 ITK (0.46) BACE1CNR2ITKINSRF2R
SCHEMBL21310889 0.78 BACE1 (0.39) BACE1CNR2ITKINSRF2R
SCHEMBL14708819 0.76 ITK (0.55) ITKINSR
SCHEMBL14708876 0.75 ITK (0.39) BACE1CNR2ITKINSRF2R
SCHEMBL6277070 0.74 ALDH1A1 (0.38) BACE1CNR2ITKINSRF2R
SCHEMBL6274410 0.74 ITK (0.39) CNR2ITKINSRJAK2JAK1
SCHEMBL21310821 0.74 JAK2 (0.41) BACE1CNR2F2RJAK2JAK1
SCHEMBL21310933 0.73 RPS6KA5 (0.44) BACE1TLR8NUDT1PIK3CA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050209284-A1 Tec kinase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-22 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-20050209284-A1 Tec kinase inhibitors TEC, ITK, TXK BACE1 1163/4885CNR2 2329/4885ITK 2/4885

“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.