SCHEMBL15738995

SCHEMBL15738995

CN1CCN(C(=O)c2ccc(C(=O)Nc3sc(-c4ccncc4)nc3C(=O)O)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 19/20 0.84
IKBKE Q14164 11/20 0.64
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52

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
SCHEMBL14058973 0.91 TBK1 (1.00) TBK1IKBKE
SCHEMBL15737678 0.86 TBK1 (0.84) TBK1IKBKE
SCHEMBL15738880 0.83 TBK1 (0.85) TBK1IKBKE
SCHEMBL14059342 0.82 TBK1 (0.80) TBK1IKBKE
SCHEMBL15736400 0.81 TBK1 (0.85) TBK1IKBKE
SCHEMBL15737750 0.79 TBK1 (0.83) TBK1IKBKE
SCHEMBL15736046 0.78 TBK1 (0.63) TBK1IKBKEMKNK1MKNK2
SCHEMBL15738293 0.78 TBK1 (0.85) TBK1IKBKE
SCHEMBL14059032 0.78 TBK1 (1.00) TBK1IKBKE
SCHEMBL15738513 0.77 TBK1 (0.82) TBK1IKBKE

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-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US claimed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US claimed

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-20140148457-A1 Thiazole derivatives TBK1, IRAK1, IRF3 TBK1 1/4885IKBKE 17/4885MKNK1 772/4885

“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.