SCHEMBL21753706

SCHEMBL21753706

COc1ccc2nc(NC(=O)c3ccc(N4CCOCC4)cc3)sc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 10/20 1.00
▸ SCD O00767 7/20 0.80
▸ KMT2A Q03164 4/20 0.72
▸ MEN1 O00255 3/20 0.72
▸ NPC1 O15118 2/20 0.72
▸ RAB9A P51151 2/20 0.72
▸ KDM4E B2RXH2 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ GAA P10253 2/20 0.66
▸ MAPT P10636 2/20 0.66
▸ HPGD P15428 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ HTT P42858 1/20 0.66
▸ CLK1 P49759 1/20 0.66
▸ HSD17B10 Q99714 1/20 0.66

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
SCHEMBL21753691 0.89 LRRK2 (1.00) LRRK2SCDKMT2AMEN1NPC1
SCHEMBL16554294 0.89 SCD (1.00) LRRK2SCDKMT2AMEN1NPC1
SCHEMBL21753712 0.88 LRRK2 (1.00) LRRK2SCDKMT2AMEN1KDM4E
SCHEMBL21753705 0.87 LRRK2 (1.00) LRRK2SCDKMT2ANPC1RAB9A
SCHEMBL18425966 0.85 SCD (0.78) LRRK2SCDKMT2AMEN1NPC1
SCHEMBL31243 0.85 SCD (1.00) SCDKMT2AMEN1NPC1RAB9A
SCHEMBL21753710 0.85 LRRK2 (1.00) LRRK2SCDKMT2AMEN1NPC1
SCHEMBL21753719 0.85 LRRK2 (1.00) LRRK2SCDNPC1RAB9AALDH1A1
SCHEMBL21753698 0.85 LRRK2 (1.00) LRRK2SCDKMT2AMEN1RAB9A
SCHEMBL21753709 0.84 LRRK2 (1.00) LRRK2SCDKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2024-02-27 — — US claimed
EP-3842422-B1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR INVESTIGACION (ES) 2022-09-07 — — EP claimed
US-20210323936-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2021-10-21 — — US claimed
EP-3842422-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES Consejo Superior de Investigaciones Cientificas (ES) 2021-06-30 — — EP claimed
WO-2020039110-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2020-02-27 — — WO claimed
EP-3827665-B1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS CONSEJO SUPERIOR INVESTIGACION (ES) 2025-02-19 — — EP disclosed
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2024-02-27 — — US disclosed
US-20230025843-A1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2023-01-26 — — US disclosed
EP-3842422-B1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR INVESTIGACION (ES) 2022-09-07 — — EP disclosed
US-20210323936-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2021-10-21 — — US disclosed
EP-3842422-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES Consejo Superior de Investigaciones Cientificas (ES) 2021-06-30 — — EP disclosed
WO-2021105182-A1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS CONSEJO SUPERIOR DE INVESTIGACIONES CIENTIFICAS (CSIC) (ES) 2021-06-03 — — WO disclosed
EP-3827665-A1 MAMMAL KINASE INHIBITORS TO PROMOTE IN VITRO EMBRYOGENESIS INDUCTION OF PLANTS Consejo Superior de Investigaciones Científicas (CSIC) (ES) 2021-06-02 — — EP disclosed
WO-2020039110-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2020-02-27 — — 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 (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-20210323936-A1 LRRK2 INHIBITING COMPOUNDS AND USE THEREOF FOR TREATING NEURODEGENERATIVE DISEASES LRRK2, PARK7, SNCA LRRK2 1/4885SCD 2604/4885KMT2A 250/4885
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases LRRK2, PARK7, SNCA LRRK2 1/4885SCD 2604/4885KMT2A 250/4885

“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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