SCHEMBL6469077

SCHEMBL6469077

NC(=O)CCn1c(N)nc2cc(C(=O)C3CCCCC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.50
BACE1 P56817 3/20 0.50
JAK2 O60674 1/20 0.49
JAK1 P23458 1/20 0.49
TYK2 P29597 1/20 0.49
JAK3 P52333 1/20 0.49
INSR P06213 3/20 0.49
CHEK2 O96017 1/20 0.49
NTRK1 P04629 1/20 0.49
PRKCG P05129 1/20 0.49
LCK P06239 1/20 0.49
KIT P10721 1/20 0.49
FGFR1 P11362 1/20 0.49
SRC P12931 1/20 0.49
FLT1 P17948 1/20 0.49
FGFR3 P22607 1/20 0.49
EPHA2 P29317 1/20 0.49
KDR P35968 1/20 0.49
FLT3 P36888 1/20 0.49
CSNK1D P48730 1/20 0.49

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
SCHEMBL6469297 0.83 BACE1 (0.48) ITKBACE1INSR
SCHEMBL6023576 0.82 KMT2A (0.56) JAK2JAK1TYK2JAK3
SCHEMBL6470376 0.81 ITK (0.65) ITKBACE1INSR
SCHEMBL5576415 0.80 ITK (0.69) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL6469125 0.79 ITK (0.77) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL6023568 0.77 BACE1 (0.48) ITKBACE1JAK2JAK1TYK2
SCHEMBL6469084 0.76 ITK (0.40) ITKBACE1INSR
SCHEMBL6414034 0.74 TLR8 (0.63) ITKBACE1JAK2JAK1TYK2
SCHEMBL14708868 0.74 BACE1 (0.52) ITKBACE1
SCHEMBL6261949 0.73 BACE1 (0.53) ITKBACE1INSRCHEK2NTRK1

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-20050176792-A1 Ketone substituted benzimidazole compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-11 US disclosed
WO-2005070420-A1 1H-BENZIMIDAZOL-2-YL-BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ITK INHIBITORS (INTERLEUKIN-2-INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-04 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-20050176792-A1 Ketone substituted benzimidazole compounds ITK, BLK, BCKDK ITK 1/4885BACE1 1492/4885JAK2 156/4885

“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.