SCHEMBL14586355

SCHEMBL14586355

CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc(NC(=O)c1cccs1)n2CCC(N)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 20/20 1.00
INSR P06213 10/20 1.00
TEC P42680 1/20 0.83
TXK P42681 1/20 0.83

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
SCHEMBL14699309 0.81 ITK (0.72) ITKINSR
SCHEMBL14698937 0.80 ITK (0.84) ITKINSR
SCHEMBL14698857 0.80 ITK (0.83) ITKINSR
SCHEMBL5576415 0.80 ITK (0.69) ITKINSR
SCHEMBL6770253 0.79 ITK (1.00) ITK
SCHEMBL5576414 0.79 ITK (0.71) ITKINSR
SCHEMBL14698272 0.78 ITK (0.70) ITKINSR
SCHEMBL14698895 0.78 ITK (0.78) ITKINSR
SCHEMBL14708988 0.76 ITK (0.64) ITKINSRTECTXK
SCHEMBL14699247 0.76 ITK (0.84) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070032403-A1 Crystal structure of the ITK kinase domain BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 US disclosed
US-20070032403-A1 Crystal structure of the ITK kinase domain BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-02-08 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-20070032403-A1 Crystal structure of the ITK kinase domain ITK, DTYMK, WEE1 ITK 1/4885INSR 299/4885TEC 499/4885

“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.