SCHEMBL15737873

SCHEMBL15737873

Nc1ccc(C(=O)Nc2cnc(-c3ccncc3)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.58
IKBKE Q14164 5/20 0.58
CSNK2A2 P19784 1/20 0.55
CSNK2A1 P68400 1/20 0.55
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
PRKACA P17612 1/20 0.47
ROCK1 Q13464 1/20 0.47
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.43
GPR142 Q7Z601 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 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
SCHEMBL15737242 0.84 IKBKE (0.59) TBK1IKBKECSNK2A2CSNK2A1MAPT
SCHEMBL15736317 0.82 TBK1 (0.61) TBK1IKBKECSNK2A2CSNK2A1SMN1; SMN2
SCHEMBL15738283 0.82 TBK1 (0.57) TBK1IKBKECSNK2A2CSNK2A1SMN1; SMN2
SCHEMBL15738604 0.81 TBK1 (0.56) TBK1IKBKECSNK2A2CSNK2A1PRKACA
SCHEMBL15738606 0.81 TBK1 (0.60) TBK1IKBKECSNK2A2CSNK2A1SMN1; SMN2
SCHEMBL15738750 0.79 TBK1 (0.63) TBK1IKBKECSNK2A2CSNK2A1
SCHEMBL15736046 0.78 TBK1 (0.63) TBK1IKBKECSNK2A2CSNK2A1POLB
SCHEMBL15738653 0.77 TBK1 (0.64) TBK1CSNK2A2CSNK2A1PRKACAROCK1
SCHEMBL15737508 0.77 TBK1 (0.58) TBK1IKBKECSNK2A2CSNK2A1PRKACA
SCHEMBL14059702 0.77 TBK1 (0.65) 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 17/4885CSNK2A2 179/4885

“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.