SCHEMBL19860150

SCHEMBL19860150

C[C@H]1Cn2ncc(N3Cc4ccnn4CC3=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ GPR119 Q8TDV5 6/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SETD7 Q8WTS6 2/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ SPR P35270 3/20 0.32
▸ ELANE P08246 1/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ IDH1 O75874 1/20 0.30

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
SCHEMBL17936882 0.83 SCN9A (0.35) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17926321 0.82 SCN9A (0.35) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17936938 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17925953 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17925956 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17936851 0.82 MAP4K4 (0.36) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17926275 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17926278 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17925955 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7
SCHEMBL17936777 0.82 SCN9A (0.34) SCN9AMAP4K4GPR119HDAC1SETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168086-B2 Methods of synthesizing pyrazine compounds HOFFMANN-LA ROCHE INC. (US) 2021-11-09 — — US disclosed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — US disclosed
US-9890167-B2 Pyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2018-02-13 — — 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-11168086-B2 Methods of synthesizing pyrazine compounds CYP3A5, HAVCR2, HCCS SCN9A 4557/4885MAP4K4 2727/4885GPR119 1377/4885

“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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