SCHEMBL15738604

SCHEMBL15738604

NC(=O)CCCCc1ccc(C(=O)Nc2cnc(-c3ccncc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 11/20 0.56
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47
NOX1 Q9Y5S8 1/20 0.45
TRPV1 Q8NER1 5/20 0.44
IKBKE Q14164 4/20 0.43
PRKACA P17612 1/20 0.43
ROCK1 Q13464 1/20 0.43
GPR142 Q7Z601 1/20 0.40

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
SCHEMBL15737764 0.88 TBK1 (0.65) TBK1CSNK2A2CSNK2A1NOX1TRPV1
SCHEMBL15737174 0.87 TBK1 (0.66) TBK1CSNK2A2CSNK2A1NOX1TRPV1
SCHEMBL15737873 0.81 TBK1 (0.58) TBK1CSNK2A2CSNK2A1IKBKEPRKACA
SCHEMBL14059709 0.79 TBK1 (0.87) TBK1IKBKE
SCHEMBL15736317 0.79 TBK1 (0.61) TBK1CSNK2A2CSNK2A1IKBKEPRKACA
SCHEMBL15737437 0.78 TBK1 (0.79) TBK1IKBKE
SCHEMBL15738750 0.76 TBK1 (0.63) TBK1CSNK2A2CSNK2A1IKBKE
SCHEMBL15737242 0.76 IKBKE (0.59) TBK1CSNK2A2CSNK2A1IKBKEPRKACA
SCHEMBL15738653 0.74 TBK1 (0.64) TBK1CSNK2A2CSNK2A1NOX1PRKACA
SCHEMBL15738283 0.74 TBK1 (0.57) TBK1CSNK2A2CSNK2A1IKBKEPRKACA

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 1/4885CSNK2A2 179/4885CSNK2A1 138/4885

“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.