SCHEMBL19781607

SCHEMBL19781607

C[C@H]1[C@H](C)n2nccc2CN1C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GPR119 Q8TDV5 5/20 0.34
▸ NR1H2 P55055 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ACACB O00763 1/20 0.33

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
SCHEMBL19781282 1.00 MEN1 (0.37) MEN1KMT2AGPR119NR1H2MAPK1
SCHEMBL17936828 0.77 MAP4K4 (0.39) MEN1KMT2AGPR119NR1H2MAPK1
SCHEMBL17926262 0.77 MAP4K4 (0.39) MEN1KMT2AGPR119NR1H2MAPK1
SCHEMBL17936822 0.77 MAP4K4 (0.39) MEN1KMT2AGPR119NR1H2MAPK1
SCHEMBL17936875 0.77 RIPK1 (0.44) GPR119NR1H2MAPK1POLB
SCHEMBL31362299 0.77 MEN1 (0.39) MEN1KMT2AGPR119NR1H2PTPN1
SCHEMBL31362279 0.74 MEN1 (0.34) MEN1KMT2AGPR119NR1H2PTPN1
SCHEMBL31362437 0.74 MEN1 (0.34) MEN1KMT2AGPR119NR1H2PTPN1
SCHEMBL19780414 0.74 ELANE (0.36) MEN1KMT2AGPR119NR1H2PTPN1
SCHEMBL31362592 0.74 GPR119 (0.40) MEN1KMT2AGPR119NR1H2ACACB

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-20200181156-A1 CARBOXY TETRAHYDROPYRAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2020-06-11 — — US disclosed
US-10562905-B2 Carboxy tetrahydropyrazolopyrazine compounds for the treatment of infectious diseases HOFFMANN-LA ROCHE INC. (US) 2020-02-18 — — US disclosed
US-20190322670-A1 NOVEL CARBOXY TETRAHYDROPYRAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 2019-10-24 — — US disclosed
WO-2018011160-A1 6,7-DIHYDRO-4H-PYRAZOLO[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 (3 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-20200181156-A1 CARBOXY TETRAHYDROPYRAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES TPMT, CYP3A5, QDPR MEN1 1974/4885KMT2A 4058/4885GPR119 950/4885
US-10562905-B2 Carboxy tetrahydropyrazolopyrazine compounds for the treatment of infectious diseases TPMT, CYP3A5, QDPR MEN1 1974/4885KMT2A 4058/4885GPR119 950/4885
US-20190322670-A1 NOVEL CARBOXY TETRAHYDROPYRAZOLOPYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES HAVCR2, GLS2, TPMT MEN1 2797/4885KMT2A 4252/4885GPR119 341/4885

“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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