SCHEMBL24453091

SCHEMBL24453091

C[C@H]1Cn2ncc(N3C[C@@H](C#N)CC3=O)c2CN1C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.33
▸ MAP4K4 O95819 1/20 0.32
▸ AR P10275 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ JAK1 P23458 2/20 0.32
▸ ELANE P08246 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ GPR119 Q8TDV5 4/20 0.31
▸ SETD7 Q8WTS6 1/20 0.31
▸ SPR P35270 2/20 0.30
▸ HSD11B1 P28845 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
SCHEMBL17926290 1.00 SCN9A (0.33) SCN9AMAP4K4ARJAK2JAK1
SCHEMBL17926289 1.00 SCN9A (0.33) SCN9AMAP4K4ARJAK2JAK1
SCHEMBL17925848 0.87 — —
SCHEMBL17936882 0.87 SCN9A (0.35) SCN9AMAP4K4ELANEHDAC1GPR119
SCHEMBL17925953 0.86 SCN9A (0.34) SCN9AMAP4K4ELANEHDAC1GPR119
SCHEMBL17926275 0.86 SCN9A (0.34) SCN9AMAP4K4ELANEHDAC1GPR119
SCHEMBL17936938 0.86 SCN9A (0.34) SCN9AMAP4K4ELANEHDAC1GPR119
SCHEMBL17926278 0.86 SCN9A (0.34) SCN9AMAP4K4ELANEHDAC1GPR119
SCHEMBL17925955 0.86 SCN9A (0.34) SCN9AMAP4K4ELANEHDAC1GPR119
SCHEMBL17925956 0.86 SCN9A (0.34) SCN9AMAP4K4ELANEHDAC1GPR119

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-20220162212-A1 PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE HOFFMANN-LA ROCHE INC. (US) 2022-05-26 — — US disclosed
US-20220162212-A1 PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE HOFFMANN-LA ROCHE INC. (US) 2022-05-26 — — US disclosed
CN-113454088-A Process for the preparation of (6S) -3- [ (4S) -4-cyano-2-oxo-pyrrolidin-1-yl ] -6-methyl-N- (3,4, 5-trifluorophenyl) -6, 7-dihydro-4H-pyrazolo [1,5-a ] pyrazine-5-carboxamide 豪夫迈·罗氏有限公司 2021-09-28 — — CN 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-20220162212-A1 PROCESS FOR THE PREPARATION OF (6S)-3-[(4S)-4-CYANO-2-OXO-PYRROLIDIN-1-YL]-6-METHYL-N-(3,4,5-TRIFLUOROPHENYL)-6,7-DIHYDRO-4H-PYRAZOLO[1,5-A]PYRAZINE-5-CARBOXAMIDE HCCS, CYP2S1, CYP3A5 SCN9A 1966/4885MAP4K4 411/4885AR 4756/4885

“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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