SCHEMBL14153333

SCHEMBL14153333

COc1ccc(-c2nc(C(N)=O)c(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)s2)cc1

nearest known ligand 0.79

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 0.79
IKBKE Q14164 15/20 0.79
TNIK Q9UKE5 1/20 0.62

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
SCHEMBL14059500 0.92 TBK1 (0.80) TBK1IKBKETNIK
SCHEMBL15737875 0.92 TBK1 (0.66) TBK1IKBKETNIK
SCHEMBL15737939 0.90 TBK1 (0.83) TBK1IKBKETNIK
SCHEMBL14058957 0.89 TBK1 (0.81) TBK1IKBKETNIK
SCHEMBL14059032 0.88 TBK1 (1.00) TBK1IKBKE
SCHEMBL3392647 0.88 TNIK (0.77) TBK1IKBKETNIK
SCHEMBL14059478 0.87 TBK1 (0.77) TBK1IKBKETNIK
SCHEMBL14059002 0.86 IKBKE (1.00) TBK1IKBKETNIK
SCHEMBL14059195 0.83 TBK1 (1.00) TBK1IKBKE
SCHEMBL14059226 0.83 TBK1 (1.00) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP claimed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP claimed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US claimed
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2714668-B9 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-06-14 EP disclosed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP disclosed
EP-2714668-B1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2017-01-18 EP disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-9249114-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2016-02-02 US disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 US disclosed
WO-2012161879-A1 THIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-11-29 WO 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-20140148457-A1 Thiazole derivatives TBK1, IRAK1, IRF3 TBK1 1/4885IKBKE 17/4885TNIK 130/4885

“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.