SCHEMBL6274413

SCHEMBL6274413

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITK Q08881 8/20 0.39
INSR P06213 3/20 0.39
CNR2 P34972 3/20 0.36
F2R P25116 1/20 0.35
BACE1 P56817 4/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
TLR8 Q9NR97 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL6274410 0.87 ITK (0.39) ITKINSRCNR2JAK2JAK1
SCHEMBL6415126 0.87 ITK (0.38) ITKINSRCNR2F2RBACE1
SCHEMBL6419231 0.86 BACE1 (0.37) ITKINSRCNR2F2RBACE1
SCHEMBL14708857 0.84 ITK (0.46) ITKINSRCNR2F2RBACE1
SCHEMBL14708876 0.84 ITK (0.39) ITKINSRCNR2F2RBACE1
SCHEMBL21310889 0.83 BACE1 (0.39) ITKINSRCNR2F2RBACE1
SCHEMBL6277070 0.83 ALDH1A1 (0.38) ITKINSRCNR2F2RBACE1
SCHEMBL14708819 0.83 ITK (0.55) ITKINSR
SCHEMBL14698995 0.82 ITK (0.49) ITKINSRJAK2JAK1TYK2
SCHEMBL14697486 0.81 ITK (0.49) ITKINSR

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 2 patents. 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
WO-2005079791-A1 THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-09-01 WO 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 ITK 2/4885INSR 910/4885CNR2 2329/4885

“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.