SCHEMBL21753695

SCHEMBL21753695

O=C(Nc1nc2ccccc2s1)c1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 1.00
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
KDM4E B2RXH2 3/20 0.62
SCD O00767 3/20 0.62
NFKB1 P19838 1/20 0.62
HTT P42858 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
MAPT P10636 1/20 0.60
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL13328295 0.87 LRRK2 (0.78) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5197413 0.86 LRRK2 (0.76) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL12306053 0.85 LRRK2 (0.74) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21753719 0.84 LRRK2 (1.00) LRRK2NPC1RAB9ASCDHTT
SCHEMBL21753698 0.84 LRRK2 (1.00) LRRK2RAB9AMEN1KMT2ASCD
SCHEMBL21753705 0.84 LRRK2 (1.00) LRRK2NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL21753710 0.84 LRRK2 (1.00) LRRK2NPC1RAB9AMEN1KMT2A
SCHEMBL6691075 0.84 MAPT (0.82) LRRK2NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL21753690 0.83 LRRK2 (1.00) LRRK2NPC1RAB9ASCD
SCHEMBL21753709 0.82 LRRK2 (1.00) LRRK2NPC1RAB9ASMN1; SMN2MEN1

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 1/4885NPC1 550/4885RAB9A 815/4885
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases LRRK2, PARK7, SNCA LRRK2 1/4885NPC1 550/4885RAB9A 815/4885

“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.