SCHEMBL6416237

SCHEMBL6416237

CN(C)C(=O)CCn1c(C(N)=O)nc2cc(N(C)C(=O)c3ccccc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITK Q08881 20/20 0.62
INSR P06213 10/20 0.62
TXK P42681 2/20 0.56

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
SCHEMBL6416912 0.92 ITK (0.72) ITKINSRTXK
SCHEMBL6416240 0.88 ITK (0.61) ITKINSRTXK
SCHEMBL6417114 0.86 ITK (0.59) ITKINSRTXK
SCHEMBL6414836 0.86 ITK (0.59) ITKINSRTXK
SCHEMBL6273363 0.84 ITK (0.56) ITKINSRTXK
SCHEMBL6277033 0.83 ITK (0.54) ITKINSRTXK
SCHEMBL6415040 0.83 ITK (0.54) ITKINSRTXK
SCHEMBL6419531 0.83 ITK (0.57) ITKINSRTXK
SCHEMBL6272966 0.83 ITK (0.54) ITKINSRTXK
SCHEMBL6272351 0.83 ITK (0.54) ITKINSRTXK

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 ITK 2/4885INSR 910/4885TXK 3/4885

“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.