SCHEMBL6418926

SCHEMBL6418926

CN(Cc1ccc2c(c1)nc(C(N)=O)n2CC(C)(C)O)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITK Q08881 16/20 0.57
INSR P06213 5/20 0.57
EGFR P00533 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL6418932 0.86 ITK (0.54) ITKINSREGFRHRH4HRH3
SCHEMBL6418924 0.81 ITK (0.46) ITKINSRBACE1
SCHEMBL6273956 0.79 ITK (0.55) ITKINSREGFR
SCHEMBL6270096 0.78 GRM2 (0.49) ITKINSREGFR
SCHEMBL14699030 0.77 ITK (0.68) ITKINSR
SCHEMBL6420483 0.74 KDM4E (0.45) ITKINSR
SCHEMBL6271293 0.74 JAK2 (0.45) ITKINSR
SCHEMBL6419560 0.74 EGFR (0.43) ITKINSREGFR
SCHEMBL6270636 0.74 CNR2 (0.40) ITKINSR
SCHEMBL6275914 0.73 ITK (0.41) 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 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 910/4885EGFR 967/4885

“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.