SCHEMBL16854597

SCHEMBL16854597

N#Cc1cccc(-c2c[nH]c3nccc(N4CCOCC4)c23)c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.74
STK3 Q13188 4/20 0.74
STK26 Q9P289 3/20 0.74
STK4 Q13043 2/20 0.74
MST1 P26927 1/20 0.74
ROCK2 O75116 2/20 0.62
ROCK1 Q13464 2/20 0.62
CDC42BPB Q9Y5S2 2/20 0.62

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
SCHEMBL16854312 0.96 LRRK2 (0.76) LRRK2STK3STK26STK4MST1
SCHEMBL16854195 0.90 ROCK1 (0.74) LRRK2STK3STK26STK4MST1
SCHEMBL16854311 0.89 LRRK2 (0.73) LRRK2STK3STK26STK4MST1
SCHEMBL16854309 0.87 LRRK2 (0.73) LRRK2STK3STK26STK4MST1
SCHEMBL16854366 0.86 LRRK2 (0.72) LRRK2STK3STK26STK4MST1
SCHEMBL16854198 0.86 LRRK2 (0.77) LRRK2STK3STK26STK4MST1
SCHEMBL16854183 0.86 LRRK2 (0.77) LRRK2STK3STK26STK4MST1
SCHEMBL19884660 0.86 LRRK2 (0.77) LRRK2STK3STK26STK4MST1
SCHEMBL30552996 0.85 LRRK2 (1.00) LRRK2STK3STK26STK4MST1
SCHEMBL29429971 0.85 LRRK2 (1.00) LRRK2STK3STK26STK4MST1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US claimed
CN-110678182-B Pharmaceutical composition containing a compound capable of penetrating the blood-brain barrier as an active ingredient for preventing or treating brain cancer 大邱庆北尖端医疗产业振兴财团 2022-08-23 CN claimed
EP-3083618-B1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER (US) 2018-02-21 EP claimed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US claimed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US claimed
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer NATIONAL CANCER CENTER (KR) 2023-08-10 US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 US disclosed
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer SAMSUNG LIFE PUBLIC WELFARE FOUNDATION (KR) 2023-06-15 US disclosed
US-11661461-B2 Phospho-Rab antibodies, assays and methods of use thereof DENALI THERAPEUTICS INC. (US) 2023-05-30 US disclosed
CN-110678182-B Pharmaceutical composition containing a compound capable of penetrating the blood-brain barrier as an active ingredient for preventing or treating brain cancer 大邱庆北尖端医疗产业振兴财团 2022-08-23 CN disclosed
EP-3083618-B1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER (US) 2018-02-21 EP disclosed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US disclosed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US disclosed
US-9695171-B2 3,4-disubstituted-1 H-pyrrolo[2,3-b]pyridines and 4,5-disubstituted-7H-pyrrolo[2,3-c]pyridazines as LRRK2 inhibitors PFIZER INC. (US) 2017-07-04 US disclosed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US disclosed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US disclosed
US-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-01-05 US disclosed
WO-2015092592-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-C]PYRIDAZINES AS LRRK2 INHIBITORS PFIZER INC. (US) 2015-06-25 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 (4 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-20170002000-A1 NOVEL 3,4-DISUBSTITUTED-1H-PYRROLO[2,3-b]PYRIDINES AND 4,5-DISUBSTITUTED-7H-PYRROLO[2,3-c]PYRIDAZINES AS LRRK2 INHIBITORS LRRK2, PARK7, BRCA1 LRRK2 1/4885STK3 91/4885STK26 195/4885
US-11661461-B2 Phospho-Rab antibodies, assays and methods of use thereof RAB10, GTPBP10, RAB8A LRRK2 19/4885STK3 1067/4885STK26 1082/4885
US-20230248740-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 LRRK2 1/4885STK3 1063/4885STK26 697/4885
US-20230181596-A1 Pharmaceutical Composition Comprising Compound Capable of Penetrating Blood-Brain Barrier as Effective Ingredient for Preventing or Treating Brain Cancer LRRK2, FABP7, PARK7 LRRK2 1/4885STK3 1063/4885STK26 697/4885

“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.