SCHEMBL22753142

SCHEMBL22753142

COc1nc(I)cc(N2CC3CC2CO3)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 17/20 0.44
DLK1 P80370 2/20 0.44
LRRK2 Q5S007 1/20 0.42
MAP3K13 O43283 3/20 0.40

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
SCHEMBL22723567 1.00 MAP3K12 (0.44) MAP3K12DLK1LRRK2MAP3K13
SCHEMBL22723429 1.00 MAP3K12 (0.44) MAP3K12DLK1LRRK2MAP3K13
SCHEMBL20437510 0.89 MAP3K12 (0.35) MAP3K12DLK1LRRK2MAP3K13
SCHEMBL20437623 0.86 MAP3K12 (0.45) MAP3K12DLK1LRRK2MAP3K13
SCHEMBL22753144 0.83 MAP3K12 (0.46) MAP3K12DLK1MAP3K13
SCHEMBL22723461 0.83 MAP3K12 (0.46) MAP3K12DLK1MAP3K13
SCHEMBL22723456 0.83 MAP3K12 (0.46) MAP3K12DLK1MAP3K13
SCHEMBL22753158 0.81 MAP3K12 (0.45) MAP3K12DLK1MAP3K13
SCHEMBL22723556 0.81 MAP3K12 (0.45) MAP3K12DLK1MAP3K13
SCHEMBL22723585 0.81 MAP3K12 (0.45) MAP3K12DLK1MAP3K13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858367-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-08 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 (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-10858367-B2 Compounds LRRK2, PARK7, PINK1 MAP3K12 69/4885DLK1 1704/4885LRRK2 1/4885

“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.