SCHEMBL6414243

SCHEMBL6414243

CN(C(=O)c1cccc(C#N)c1)c1ccc2c(c1)nc(C(N)=O)n2C[C@@H](O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 20/20 0.51
TXK P42681 1/20 0.51
INSR P06213 6/20 0.47
PDPK1 O15530 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
PHKG2 P15735 1/20 0.43
MARK3 P27448 1/20 0.43
FLT3 P36888 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CSNK1D P48730 1/20 0.43
CLK2 P49760 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
NEK4 P51957 1/20 0.43
CSNK1G2 P78368 1/20 0.43
MAP4K2 Q12851 1/20 0.43
CAMK2G Q13555 1/20 0.43
DYRK1A Q13627 1/20 0.43

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
SCHEMBL6419603 1.00 ITK (0.51) ITKTXKINSRPDPK1MAP4K4
SCHEMBL6419607 0.91 ITK (0.50) ITKTXKINSRPDPK1MAP4K4
SCHEMBL6414426 0.90 ITK (0.54) ITKTXKINSR
SCHEMBL6264379 0.89 ITK (0.47) ITKTXKINSR
SCHEMBL6414238 0.89 ITK (0.47) ITKTXKINSR
SCHEMBL6261856 0.84 ITK (0.63) ITKTXKINSR
SCHEMBL6414242 0.82 STING1 (0.41) ITKTXKINSRGSK3B
SCHEMBL6419572 0.80 ITK (0.55) ITKTXKINSRPDPK1MAP4K4
SCHEMBL6414434 0.79 ITK (0.53) ITKTXKINSR
SCHEMBL6416849 0.79 STING1 (0.42) ITKTXKINSR

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 2/4885TXK 3/4885INSR 910/4885

“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.