SCHEMBL6421019

SCHEMBL6421019

CC(C)(O)Cn1c(C(N)=O)nc2cc(CNc3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 15/20 0.56
INSR P06213 11/20 0.56
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 2/20 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
SCHEMBL6421021 0.85 ITK (0.53) ITKINSRHDAC6
SCHEMBL6420992 0.81 ITK (0.55) ITKINSR
SCHEMBL6420438 0.81 ITK (0.55) ITKINSR
SCHEMBL6274629 0.81 ITK (0.55) ITKINSR
SCHEMBL6273956 0.80 ITK (0.55) ITKINSRHDAC6HDAC1
SCHEMBL6273767 0.80 ITK (0.42) ITKINSRHDAC1
SCHEMBL6420350 0.80 ITK (0.50) ITKINSR
SCHEMBL6273963 0.78 ITK (0.49) ITKINSRHDAC6
SCHEMBL6418924 0.78 ITK (0.46) ITKINSRHDAC6HDAC1
SCHEMBL6271293 0.77 JAK2 (0.45) 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 910/4885HDAC6 894/4885

“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.