SCHEMBL6469134

SCHEMBL6469134

N#Cc1ccc(C(=O)Nc2nc3c(C(=O)C4CCCCC4)cccc3n2CCC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 19/20 0.60
INSR P06213 2/20 0.60
CHEK2 O96017 1/20 0.60
NTRK1 P04629 1/20 0.60
PRKCG P05129 1/20 0.60
LCK P06239 1/20 0.60
KIT P10721 1/20 0.60
FGFR1 P11362 1/20 0.60
SRC P12931 1/20 0.60
FLT1 P17948 1/20 0.60
FGFR3 P22607 1/20 0.60
EPHA2 P29317 1/20 0.60
KDR P35968 1/20 0.60
FLT3 P36888 1/20 0.60
CSNK1D P48730 1/20 0.60
RPS6KA3 P51812 1/20 0.60
PLK1 P53350 1/20 0.60
DYRK1A Q13627 1/20 0.60
AURKB Q96GD4 1/20 0.60
IRAK4 Q9NWZ3 1/20 0.60

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
SCHEMBL6469125 0.84 ITK (0.77) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL6469039 0.77 ITK (0.74) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL6469084 0.77 ITK (0.40) ITKINSR
SCHEMBL6469021 0.76 ITK (0.74) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL14586354 0.70 ITK (0.79) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL14586352 0.69 ITK (1.00) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL14698937 0.67 ITK (0.84) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL14586353 0.67 ITK (1.00) ITKINSRCHEK2NTRK1PRKCG
SCHEMBL14586356 0.66 ITK (1.00) ITKINSRTXK
SCHEMBL14698857 0.65 ITK (0.83) ITKINSRCHEK2NTRK1PRKCG

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 1/4885INSR 518/4885CHEK2 509/4885

“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.