SCHEMBL15738951

SCHEMBL15738951

CC(=O)N1CCN(Cc2ccc(C(=O)Nc3cnc(-c4ccncc4)s3)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 11/20 0.66
IKBKE Q14164 6/20 0.66
HRH3 Q9Y5N1 2/20 0.49
KIT P10721 1/20 0.49
FLT3 P36888 1/20 0.49
HIF1A Q16665 1/20 0.48
EPAS1 Q99814 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
CHRM1 P11229 1/20 0.48
HTR2A P28223 1/20 0.48
MCHR1 Q99705 1/20 0.48
LSS P48449 2/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL14059702 0.90 TBK1 (0.65) TBK1IKBKEKITFLT3
SCHEMBL15738750 0.89 TBK1 (0.63) TBK1IKBKEHRH3KITFLT3
SCHEMBL15737383 0.86 TBK1 (0.65) TBK1IKBKEKITFLT3HIF1A
SCHEMBL15737742 0.86 TBK1 (0.65) TBK1IKBKEHIF1AEPAS1
SCHEMBL15736400 0.80 TBK1 (0.85) TBK1IKBKE
SCHEMBL15736046 0.80 TBK1 (0.63) TBK1IKBKEKITFLT3CSNK2A2
SCHEMBL14059510 0.79 TBK1 (1.00) TBK1IKBKE
SCHEMBL15737255 0.78 IKBKE (0.67) TBK1IKBKEKITFLT3
SCHEMBL15736317 0.77 TBK1 (0.61) TBK1IKBKELSSCSNK2A2CSNK2A1
SCHEMBL15737873 0.75 TBK1 (0.58) TBK1IKBKEMEN1KMT2ACSNK2A2

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 disclosed
US-20140148457-A1 Thiazole derivatives MERCK PATENT GMBH (DE) 2014-05-29 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-20140148457-A1 Thiazole derivatives TBK1, IRAK1, IRF3 TBK1 1/4885IKBKE 17/4885HRH3 4209/4885

“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.