SCHEMBL15737508

SCHEMBL15737508

O=C(Nc1cnc(-c2ccncc2)s1)c1ccc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.58
IKBKE Q14164 3/20 0.58
PRKACA P17612 2/20 0.47
ROCK1 Q13464 2/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
GPR142 Q7Z601 1/20 0.44
SCN9A Q15858 2/20 0.42
TMIGD3 P0DMS9 1/20 0.42
ADORA1 P30542 1/20 0.42
APOBEC3G Q9HC16 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
BLM P54132 1/20 0.39
PTPN1 P18031 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3B Q9UH17 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN3A Q9NY46 1/20 0.37
KCNMA1 Q12791 1/20 0.37

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
SCHEMBL15737940 0.78 PRKACA (0.47) TBK1IKBKEPRKACAROCK1CSNK2A2
SCHEMBL15737873 0.77 TBK1 (0.58) TBK1IKBKEPRKACAROCK1CSNK2A2
SCHEMBL15737243 0.77 ALDH1A1 (0.57) TBK1PRKACAROCK1CSNK2A2CSNK2A1
SCHEMBL15738606 0.76 TBK1 (0.60) TBK1IKBKEPRKACAROCK1CSNK2A2
SCHEMBL15738283 0.74 TBK1 (0.57) TBK1IKBKEPRKACAROCK1CSNK2A2
SCHEMBL4525537 0.74 SCN9A (0.57) TBK1IKBKEROCK1SCN9ATMIGD3
SCHEMBL15737242 0.74 IKBKE (0.59) TBK1IKBKEPRKACAROCK1CSNK2A2
SCHEMBL14058958 0.74 TBK1 (1.00) TBK1IKBKE
SCHEMBL15736317 0.72 TBK1 (0.61) TBK1IKBKEPRKACAROCK1CSNK2A2
SCHEMBL13357509 0.72 PRKACA (0.70) PRKACAROCK1GPR142

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 17/4885PRKACA 451/4885

“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.