SCHEMBL21796860

SCHEMBL21796860

COc1nc(I)cc(N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.47
▸ SKP1 P63208 2/20 0.47
▸ SKP2 Q13309 2/20 0.47
▸ MAP4K4 O95819 1/20 0.46
▸ HRH4 Q9H3N8 1/20 0.45
▸ SUV39H2 Q9H5I1 3/20 0.45
▸ GPR119 Q8TDV5 9/20 0.44
▸ TLR9 Q9NR96 1/20 0.44
▸ GALR2 O43603 1/20 0.42
▸ GALR1 P47211 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMPD3 Q9NY59 1/20 0.41

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
SCHEMBL22873609 0.86 GPR119 (0.55) CKS1BSKP1SKP2MAP4K4HRH4
SCHEMBL21796892 0.85 SUV39H2 (0.49) CKS1BSKP1SKP2MAP4K4HRH4
SCHEMBL21796663 0.85 GPR119 (0.56) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL15106095 0.79 GPR119 (0.55) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL29182754 0.78 CKS1B (0.49) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL3486463 0.77 GPR119 (0.59) GPR119ALDH1A1
SCHEMBL24851455 0.77 CKS1B (0.53) CKS1BSKP1SKP2MAP4K4HRH4
SCHEMBL15938222 0.77 MAP4K4 (0.52) CKS1BSKP1SKP2MAP4K4SUV39H2
SCHEMBL23478575 0.77 DPP4 (0.38) MAP4K4HRH4SUV39H2GPR119
SCHEMBL21797010 0.76 HRH4 (0.64) HRH4ALDH1A1

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
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 — — CN disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 — — US disclosed
US-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-04-13 — — US disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 — — EP disclosed
EP-3325449-B1 HETEROCYCLIC COMPOUNDS, PARTICULARLY PYRIMIDINYLINDAZOLE COMPOUNDS FOR TREATING PARKINSON'S DISEASE GLAXOSMITHKLINE IP DEV LTD (GB) 2021-01-13 — — EP disclosed
US-20200079777-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-03-12 — — 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-10975081-B2 Substituted fused pyrazole compounds and their use as LRRK2 inhibitors LRRK2, PARK7, PINK1 CKS1B 387/4885SKP1 448/4885SKP2 204/4885
US-20200079777-A1 COMPOUNDS LRRK2, PARK7, PINK1 CKS1B 415/4885SKP1 401/4885SKP2 300/4885

“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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