SCHEMBL21859950

SCHEMBL21859950

CC(C)C1C2CN(C3COC3)CC21

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 11/20 0.33
DLK1 P80370 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
SCHEMBL18368355 1.00 MAP3K12 (0.33) MAP3K12DLK1
SCHEMBL22098495 1.00 MAP3K12 (0.33) MAP3K12DLK1
SCHEMBL10119953 0.77 MAP3K12 (0.30) MAP3K12
SCHEMBL18379036 0.75
SCHEMBL20109897 0.75
SCHEMBL22991849 0.75
SCHEMBL17814859 0.75
SCHEMBL20115394 0.75
SCHEMBL18542742 0.73
SCHEMBL24086647 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 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-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 MAP3K12 48/4885DLK1 481/4885

“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.