SCHEMBL21058321

SCHEMBL21058321

C[C@H]1Cn2ncc(O)c2CN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ ATR Q13535 1/20 0.31

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
SCHEMBL28912802 1.00 MAPT (0.34) MAPTGAATSHRATR
SCHEMBL21958284 0.86 MAPT (0.32) MAPTGAA
SCHEMBL28562895 0.86 MAPT (0.32) MAPTGAA
SCHEMBL21986932 0.86 MAPT (0.32) MAPTGAA
SCHEMBL17925845 0.86 MAPT (0.32) MAPTGAA
SCHEMBL21058323 0.86 MAPT (0.32) MAPTGAA
SCHEMBL21058306 0.84 TSHR (0.33) MAPTTSHR
SCHEMBL19632326 0.82 GPR119 (0.38) —
SCHEMBL21058315 0.82 GPR119 (0.38) —
SCHEMBL21058304 0.81 MAPT (0.31) MAPT

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 4 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
CN-109153682-B Novel pyrazine compounds with oxygen, sulfur and nitrogen linkers for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2021-05-25 — — CN 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

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 MAPT 3778/4885GAA 4309/4885TSHR 1568/4885
US-10604527-B2 Pyrazine compounds for the treatment of hepatitis B infection HAVCR2, CYP3A43, CYP3A5 MAPT 3624/4885GAA 3586/4885TSHR 525/4885

“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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