SCHEMBL22425499

SCHEMBL22425499

Brc1ccnc(N2C[C@H]3C[C@@H]2CO3)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.50
▸ MAP3K12 Q12852 14/20 0.47
▸ ADK P55263 1/20 0.44
▸ MAP3K13 O43283 1/20 0.42
▸ DLK1 P80370 1/20 0.42
▸ ATR Q13535 1/20 0.41
▸ PDE10A Q9Y233 1/20 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
SCHEMBL22409840 1.00 LRRK2 (0.50) LRRK2MAP3K12ADKMAP3K13DLK1
SCHEMBL22425335 0.83 LRRK2 (0.53) LRRK2MAP3K12MAP3K13DLK1ATR
SCHEMBL22425585 0.80 LRRK2 (0.47) LRRK2MAP3K12MAP3K13DLK1ATR
SCHEMBL24454015 0.80 LRRK2 (0.47) LRRK2MAP3K12MAP3K13DLK1ATR
SCHEMBL22425587 0.80 LRRK2 (0.47) LRRK2MAP3K12MAP3K13DLK1ATR
SCHEMBL21588292 0.78 ADK (0.49) MAP3K12ADKMAP3K13DLK1PDE10A
SCHEMBL21588369 0.78 ADK (0.49) MAP3K12ADKMAP3K13DLK1PDE10A
SCHEMBL22425261 0.74 USP30 (0.36) —
SCHEMBL30749108 0.73 MAP3K12 (0.48) MAP3K12MAP3K13DLK1
SCHEMBL30605628 0.72 MAP3K12 (0.45) LRRK2MAP3K12ADKMAP3K13DLK1

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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2022-05-26 — — US disclosed
WO-2020182666-A1 SMALL MOLECULE MODULATORS OF IL-17 LEO PHARMA A/S (DK) 2020-09-17 — — 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-20220162191-A1 SMALL MOLECULE MODULATORS OF IL-17 IL17A, IL15, IL2 LRRK2 3566/4885MAP3K12 1333/4885ADK 3205/4885

“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.

Send feedback