SCHEMBL23458809

SCHEMBL23458809

CC1(C)OB(c2ccc([C@@H]3CN(C(=O)O)CCO3)cc2)OC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.39
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
USP30 Q70CQ3 3/20 0.39
LIPG Q9Y5X9 4/20 0.38
LPL P06858 3/20 0.38
P4HB P07237 1/20 0.38
ROCK1 Q13464 1/20 0.34
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL3695043 1.00 F11 (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL28812092 0.84 USP30 (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL916049 0.84 USP30 (0.52) F11F2PRSS1PRSS2PRSS3
SCHEMBL15477094 0.81 LPL (0.40) F11LIPGLPLCA1CA2
SCHEMBL586426 0.80 HIF1A (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL15775170 0.79 LIPG (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL13778068 0.78 DRD3 (0.50) LIPGLPLDRD3
SCHEMBL3790233 0.77 USP30 (0.44) USP30DRD3
SCHEMBL27875627 0.77 USP30 (0.44) USP30DRD3
SCHEMBL4730357 0.77 USP30 (0.55) USP30DRD3

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
EP-4069693-B1 HYDROPYRIDO[1,2-ALPHA]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES HOFFMANN LA ROCHE (CH) 2024-03-20 EP disclosed
US-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
WO-2021110614-A1 HYDROPYRIDO[1,2-α]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2021-06-10 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 (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-20230022297-A1 HYDROPYRIDO[1,2-a]PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASE TLR7, TLR9, TLR5 F11 2666/4885F2 3275/4885PRSS1 1954/4885

“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.