SCHEMBL15528405

SCHEMBL15528405

CNc1nc(Nc2cn(C3(C)COC3)nc2C)ncc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 1.00
CYP1A2 P05177 6/20 0.67
TTK P33981 1/20 0.60

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
SCHEMBL15528431 0.89 LRRK2 (1.00) LRRK2CYP1A2
SCHEMBL5021485 0.84 LRRK2 (0.73) LRRK2CYP1A2TTK
SCHEMBL5021182 0.84 LRRK2 (0.72) LRRK2CYP1A2TTK
SCHEMBL5021482 0.82 LRRK2 (0.70) LRRK2CYP1A2TTK
SCHEMBL19729987 0.81 LRRK2 (0.78) LRRK2CYP1A2TTK
SCHEMBL19729876 0.81 LRRK2 (0.78) LRRK2CYP1A2TTK
SCHEMBL19729985 0.81 LRRK2 (0.78) LRRK2CYP1A2TTK
SCHEMBL4561721 0.81 LRRK2 (1.00) LRRK2CYP1A2TTK
SCHEMBL19729879 0.81 LRRK2 (0.68) LRRK2CYP1A2TTK
SCHEMBL19729992 0.81 LRRK2 (0.68) LRRK2CYP1A2TTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP claimed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US claimed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US claimed
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP disclosed
EP-2844652-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-03-13 EP disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212173-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2015-12-15 US disclosed
EP-2844652-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
US-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH, INC. (CA) 2015-02-19 US disclosed
WO-2013164321-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2013-11-07 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 (1 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-20150051238-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 LRRK2 1/4885CYP1A2 4275/4885TTK 927/4885

“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.