SCHEMBL6418924

SCHEMBL6418924

CC(C)(O)Cn1c(C(N)=O)nc2cc(CNCC3CCCCC3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.46
INSR P06213 11/20 0.46
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
BACE1 P56817 1/20 0.39
CNR2 P34972 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL6275914 0.89 ITK (0.41) ITKINSRCNR2
SCHEMBL6273767 0.81 ITK (0.42) ITKINSRCNR2HDAC1HDAC8
SCHEMBL6418926 0.81 ITK (0.57) ITKINSRBACE1
SCHEMBL6420350 0.80 ITK (0.50) ITKINSR
SCHEMBL6273963 0.79 ITK (0.49) ITKINSRHDAC6
SCHEMBL6420438 0.78 ITK (0.55) ITKINSR
SCHEMBL6421019 0.78 ITK (0.56) ITKINSRHDAC6HDAC1
SCHEMBL6420992 0.78 ITK (0.55) ITKINSR
SCHEMBL6274629 0.78 ITK (0.55) ITKINSR
SCHEMBL6276868 0.78 ITK (0.39) ITKINSRMEN1ALDH1A1KMT2A

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 910/4885OPRM1 3142/4885

“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.