SCHEMBL19785152

SCHEMBL19785152

CC1Cn2nnc(N3CCCS3(=O)=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCA P06881 2/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GPR119 Q8TDV5 2/20 0.30
▸ SETD7 Q8WTS6 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
SCHEMBL19784844 0.81 GPR119 (0.33) CALCAMAP4K4GPR119SETD7
SCHEMBL19785042 0.77 MAP4K4 (0.35) MAP4K4ALDH1A1GPR119SETD7
SCHEMBL19784974 0.76 MAP4K4 (0.34) MAP4K4ALDH1A1GPR119SETD7
SCHEMBL19785150 0.74 GPR119 (0.35) MAP4K4GPR119SETD7
SCHEMBL23106679 0.69 USP30 (0.32) CALCAALDH1A1
SCHEMBL19785081 0.69 PIK3C3 (0.33) MAP4K4GPR119SETD7
SCHEMBL19785061 0.67 ELANE (0.33) MAP4K4GPR119SETD7
SCHEMBL19632326 0.67 GPR119 (0.38) MAP4K4GPR119SETD7
SCHEMBL21058315 0.67 GPR119 (0.38) MAP4K4GPR119SETD7
SCHEMBL19785167 0.67 RECQL (0.32) MAP4K4GPR119SETD7

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 CALCA 3893/4885MAP4K4 690/4885ALDH1A1 1006/4885
US-10683299-B2 Pyrazolopyrazine and triazolopyrazine compounds for the treatment of infectious diseases CYP3A5, RRP15, QDPR CALCA 3514/4885MAP4K4 878/4885ALDH1A1 914/4885

“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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