SCHEMBL19632470

SCHEMBL19632470

CC1Cn2ncc(S)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ SETD7 Q8WTS6 2/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ SPR P35270 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ SCN9A Q15858 1/20 0.32

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
SCHEMBL19632319 1.00 GPR119 (0.37) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL19632326 0.87 GPR119 (0.38) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL21058315 0.87 GPR119 (0.38) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL21260292 0.86 GPR119 (0.37) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL20691685 0.85 MEN1 (0.39) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL22615358 0.85 MEN1 (0.39) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL17925539 0.85 HDAC1 (0.39) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL17936825 0.85 HDAC1 (0.39) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL17925541 0.85 HDAC1 (0.39) GPR119MAP4K4ELANEHDAC1SETD7
SCHEMBL22018067 0.83 DRD3 (0.42) GPR119MAP4K4ELANEHDAC1SPR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3458455-B1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
EP-3458455-B1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2021-06-16 — — EP disclosed
US-10604527-B2 Pyrazine compounds for the treatment of hepatitis B infection HOFFMANN-LA ROCHE INC. (US) 2020-03-31 — — US disclosed
US-20190185476-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
US-20190185476-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-06-20 — — US disclosed
WO-2017198744-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN, SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2017-11-23 — — 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 (2 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-20190185476-A1 NOVEL PYRAZINE COMPOUNDS WITH OXYGEN SULFUR AND NITROGEN LINKER FOR THE TREATMENT OF INFECTIOUS DISEASES SQOR, HCCS, CBR1 GPR119 1604/4885MAP4K4 1588/4885ELANE 3016/4885
US-10604527-B2 Pyrazine compounds for the treatment of hepatitis B infection HAVCR2, CYP3A43, CYP3A5 GPR119 917/4885MAP4K4 3147/4885ELANE 2070/4885

“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.

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