SCHEMBL23478575

SCHEMBL23478575

COc1nc(I)cc(N2CCN(C(=O)OC(C)(C)C)C(CCC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ NR1H2 P55055 7/20 0.37
▸ NR1H3 Q13133 7/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ SUV39H2 Q9H5I1 2/20 0.34
▸ HRH4 Q9H3N8 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ PARP1 P09874 1/20 0.32

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
SCHEMBL23478546 0.93 HRH4 (0.34) DPP4HDAC1NR1H2NR1H3MAP4K4
SCHEMBL20424245 0.81 ABCB1 (0.33) HRH4
SCHEMBL21796860 0.77 CKS1B (0.47) MAP4K4SUV39H2HRH4GPR119
SCHEMBL23478543 0.75 LRRK2 (0.54) DPP4
SCHEMBL23478573 0.68 PRKCQ (0.35) HDAC1SUV39H2HRH4
SCHEMBL8512175 0.67 HDAC1 (0.41) DPP4HDAC1NR1H2NR1H3MAP4K4
SCHEMBL8512178 0.67 HDAC1 (0.41) DPP4HDAC1NR1H2NR1H3MAP4K4
SCHEMBL38666731 0.67 HDAC1 (0.41) DPP4HDAC1NR1H2NR1H3MAP4K4
SCHEMBL38666138 0.67 HDAC1 (0.41) DPP4HDAC1NR1H2NR1H3MAP4K4
SCHEMBL38666106 0.66 HDAC1 (0.40) DPP4HDAC1NR1H2NR1H3MAP4K4

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-11034696-B2 Compounds for inhibiting LRRK2 kinase activity GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-06-15 — — 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-11034696-B2 Compounds for inhibiting LRRK2 kinase activity LRRK2, BRSK2, MAPKAPK2 DPP4 3017/4885HDAC1 690/4885NR1H2 2458/4885

“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.

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