SCHEMBL19785167

SCHEMBL19785167

C[C@H]1Cn2ncc(N3CCOCS3(=O)=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.32
▸ PIK3CA P42336 5/20 0.32
▸ PIK3R1 P27986 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ GPR119 Q8TDV5 3/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ HDAC1 Q13547 1/20 0.31
▸ AKT1 P31749 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ SETD7 Q8WTS6 1/20 0.30
▸ PIK3CD O00329 2/20 0.30
▸ PIK3R2 O00459 1/20 0.30
▸ PIK3CB P42338 1/20 0.30
▸ PIK3CG P48736 1/20 0.30
▸ PIK3R5 Q8WYR1 1/20 0.30
▸ PIK3R3 Q92569 1/20 0.30
▸ SPR P35270 2/20 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
SCHEMBL19785150 0.87 GPR119 (0.35) GPR119MAP4K4HDAC1SETD7PIK3CD
SCHEMBL19784844 0.85 GPR119 (0.33) GPR119MAP4K4HDAC1SETD7PIK3CD
SCHEMBL21260247 0.85 USP30 (0.34) RECQLPIK3CAPIK3R1GPR119PIK3CD
SCHEMBL19785057 0.84 SETD7 (0.33) GPR119MAP4K4HDAC1SETD7PIK3CD
SCHEMBL19784986 0.82 GPR119 (0.32) GPR119MAP4K4HDAC1
SCHEMBL19784990 0.82 GPR119 (0.35) GPR119MAP4K4HDAC1SETD7PIK3CD
SCHEMBL19784855 0.81 GPR119 (0.33) GPR119MAP4K4HDAC1SETD7SPR
SCHEMBL19784991 0.80 GPR119 (0.33) GPR119MAP4K4HDAC1SETD7PIK3CD
SCHEMBL17936869 0.80 PIK3CA (0.36) RECQLPIK3CAPIK3R1USP2SMN1; SMN2
SCHEMBL19785081 0.79 PIK3C3 (0.33) GPR119MAP4K4HDAC1SETD7SPR

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
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 — — US disclosed
EP-3484886-B1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN LA ROCHE (CH) 2020-03-04 — — EP disclosed
US-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-08-15 — — US disclosed
WO-2018011163-A1 6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE AND 6,7-DIHYDRO-4H-TRIAZOLO[1,5-A]PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2018-01-18 — — 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-20190248792-A1 NOVEL PYRAZOLOPYRAZINE AND TRIAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES CYP3A5, RRP15, HAVCR2 RECQL 41/4885PIK3CA 3022/4885PIK3R1 3646/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR RECQL 28/4885PIK3CA 2826/4885PIK3R1 3962/4885

“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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