SCHEMBL21753690

SCHEMBL21753690

O=C(Nc1nc2ccc(C(F)(F)F)cc2s1)c1ccc(N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 1.00
DYRK1A Q13627 1/20 0.57
SCD O00767 1/20 0.56
CSNK1D P48730 2/20 0.53
ACP1 P24666 1/20 0.53
CYP2D6 P10635 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
PIK3CA P42336 1/20 0.52
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
CSNK2A1 P68400 1/20 0.52
CSNK2A3 Q8NEV1 1/20 0.52

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
SCHEMBL21753710 0.88 LRRK2 (1.00) LRRK2SCDNPC1RAB9A
SCHEMBL21753698 0.85 LRRK2 (1.00) LRRK2SCDRAB9A
SCHEMBL21753719 0.85 LRRK2 (1.00) LRRK2DYRK1ASCDNPC1RAB9A
SCHEMBL21753705 0.85 LRRK2 (1.00) LRRK2SCDNPC1RAB9A
SCHEMBL21753706 0.83 LRRK2 (1.00) LRRK2SCDNPC1RAB9A
SCHEMBL21753709 0.83 LRRK2 (1.00) LRRK2SCDNPC1RAB9APIK3CA
SCHEMBL21753695 0.83 LRRK2 (1.00) LRRK2SCDNPC1RAB9A
SCHEMBL21753691 0.81 LRRK2 (1.00) LRRK2SCDNPC1RAB9A
SCHEMBL30810409 0.80 LRRK2 (0.73) LRRK2DYRK1ASCDCSNK1DACP1
SCHEMBL21753712 0.79 LRRK2 (1.00) LRRK2SCD

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 1/4885DYRK1A 1320/4885SCD 2604/4885
US-11912678-B2 LRRK2 inhibiting compounds and use thereof for treating neurodegenerative diseases LRRK2, PARK7, SNCA LRRK2 1/4885DYRK1A 1320/4885SCD 2604/4885

“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.