SCHEMBL21828010

SCHEMBL21828010

Cc1c(B2OC(C)(C)C(C)(C)O2)cncc1N(C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.43
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
UCHL1 P09936 1/20 0.33
DGAT1 O75907 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL29843363 1.00 USP30 (0.43) USP30BACE1BACE2UCHL1DGAT1
SCHEMBL20516750 0.89 USP30 (0.47) USP30BACE1BACE2UCHL1DGAT1
SCHEMBL21635145 0.86 USP30 (0.44) USP30BACE1BACE2UCHL1DGAT1
SCHEMBL2129158 0.77 USP30 (0.40) USP30BACE1BACE2UCHL1DGAT1
SCHEMBL25347617 0.75 USP30 (0.47) USP30BACE1BACE2UCHL1DGAT1
SCHEMBL28360748 0.75 USP30 (0.32) USP30UCHL1
SCHEMBL28566694 0.75 USP30 (0.39) USP30BACE1BACE2UCHL1DGAT1
SCHEMBL20518880 0.75 AAK1 (0.39) USP30DGAT1PRMT5WDR77AAK1
SCHEMBL21550062 0.74 USP30 (0.38) USP30BACE1BACE2PRMT5WDR77
SCHEMBL21828436 0.74 PAX8 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
CN-113166062-A 8-aminoisoquinoline compounds and uses thereof 豪夫迈·罗氏有限公司 2021-07-23 CN disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 USP30 2613/4885BACE1 4858/4885BACE2 4827/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 USP30 2613/4885BACE1 4858/4885BACE2 4827/4885

“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.