SCHEMBL7457728

SCHEMBL7457728

CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCCF)ncc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 1.00
TTK P33981 1/20 0.82

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
SCHEMBL15033139 0.94 LRRK2 (0.88) LRRK2TTK
SCHEMBL7454471 0.92 LRRK2 (1.00) LRRK2TTK
SCHEMBL7449691 0.90 LRRK2 (1.00) LRRK2TTK
SCHEMBL7453585 0.89 LRRK2 (1.00) LRRK2TTK
SCHEMBL7449799 0.89 LRRK2 (1.00) LRRK2TTK
SCHEMBL7450006 0.89 LRRK2 (1.00) LRRK2TTK
SCHEMBL14994503 0.88 LRRK2 (0.82) LRRK2TTK
SCHEMBL15003190 0.88 LRRK2 (0.89) LRRK2TTK
SCHEMBL7515829 0.88 LRRK2 (1.00) LRRK2TTK
SCHEMBL14995464 0.87 LRRK2 (0.94) LRRK2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 EP claimed
EP-2785381-B1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 HOFFMANN LA ROCHE (CH) 2016-05-18 EP claimed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 EP claimed
US-9139566-B2 Fluorine-18 and carbon-11 labeled radioligands for positron emission tomography (PET) imaging for LRRK2 GENENTECH, INC. (US) 2015-09-22 US claimed
EP-2785381-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP claimed
US-20130156700-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 GENENTECH, INC. (US) 2013-06-20 US claimed
WO-2013079496-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 F. HOFFMANN-LA ROCHE AG (CH) 2013-06-06 WO claimed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US claimed
EP-3075730-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2018-10-24 EP disclosed
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 EP disclosed
EP-3075730-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2016-10-05 EP disclosed
EP-2785381-B1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
EP-2785381-B1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 HOFFMANN LA ROCHE (CH) 2016-05-18 EP disclosed
EP-2576541-B1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS HOFFMANN LA ROCHE (CH) 2016-04-06 EP disclosed
US-8354420-B2 Aminopyrimidine derivatives as LRRK2 inhibitors GENENTECH, INC. (US) 2013-01-15 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS GENENTECH, INC. (US) 2011-12-08 US disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO disclosed
WO-2011151360-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 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-20130156700-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 LRRK2, PARK7, SLC18A2 LRRK2 1/4885TTK 2948/4885
US-20110301141-A1 AMINOPYRIMIDINE DERIVATIVES AS LRRK2 INHIBITORS LRRK2, PARK7, PKN2 LRRK2 1/4885TTK 3237/4885

“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.