SCHEMBL19784974

SCHEMBL19784974

CC1Cn2nnc(I)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GPR119 Q8TDV5 3/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ SETD7 Q8WTS6 2/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR1H2 P55055 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
SCHEMBL19785042 0.86 MAP4K4 (0.35) MAP4K4ALDH1A1GPR119HDAC1SETD7
SCHEMBL21245371 0.81 — —
SCHEMBL16697373 0.79 MAP4K4 (0.35) MAP4K4ALDH1A1GPR119HDAC1SETD7
SCHEMBL17925539 0.79 HDAC1 (0.39) MAP4K4GPR119HDAC1SETD7HSD11B1
SCHEMBL17936825 0.79 HDAC1 (0.39) MAP4K4GPR119HDAC1SETD7HSD11B1
SCHEMBL17925541 0.79 HDAC1 (0.39) MAP4K4GPR119HDAC1SETD7HSD11B1
SCHEMBL16711379 0.78 MAP4K4 (0.36) MAP4K4GPR119HDAC1SETD7HSD11B1
SCHEMBL30622818 0.78 SETD7 (0.34) MAP4K4GPR119HDAC1SETD7HSD11B1
SCHEMBL30622784 0.78 SETD7 (0.34) MAP4K4GPR119HDAC1SETD7HSD11B1
SCHEMBL26645349 0.78 SETD7 (0.34) MAP4K4GPR119HDAC1SETD7HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476668-B 6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazines and 6, 7-dihydro-4H-triazolo [1,5-a ] pyrazines for the treatment of infectious diseases 豪夫迈·罗氏有限公司 2022-03-22 — — CN disclosed
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases HOFFMANN LA ROCHE INC. (US) 2020-06-16 — — US disclosed
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
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
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 MAP4K4 690/4885ALDH1A1 1006/4885GPR119 766/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR MAP4K4 878/4885ALDH1A1 914/4885GPR119 1086/4885

“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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