SCHEMBL4560265

SCHEMBL4560265

C[C](C)C(=O)NCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
ACACB O00763 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL204127 0.81 TGFBR1 (0.35) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
SCHEMBL295464 0.79
SCHEMBL14699667 0.78 CYP1A2 (0.35) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
SCHEMBL22702476 0.77 KDM5B (0.36) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
Ammonia Solution, Strong SCHEMBL28281906 0.77 KDM4E (0.40) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
Hydrochloric Acid SCHEMBL6594526 0.77 KDM4E (0.40) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
SCHEMBL2778468 0.75 SMN1; SMN2 (0.35) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
SCHEMBL16857037 0.73 KDM4E (0.41) SMN1; SMN2POLBL3MBTL1KDM4ELMNA
SCHEMBL22689217 0.73 SMN1; SMN2 (0.34) SMN1; SMN2POLBL3MBTL1LMNAHTT
SCHEMBL18760846 0.73 SMN1; SMN2 (0.32) SMN1; SMN2POLBKDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP claimed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP claimed
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP claimed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP claimed
EP-3124483-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. Hoffmann-La Roche AG (CH) 2017-02-01 EP claimed
CN-103313978-B Pyrazole aminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2015-04-15 CN claimed
US-8815882-B2 Pyrazole aminopyrimidine derivatives as LRRK2 modulators GENENTECH, INC. (US) 2014-08-26 US claimed
EP-2638031-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2013-09-18 EP claimed
CN-103313978-A Pyrazole aminopyrimidine derivatives as LRRK2 modulators HOFFMANN LA ROCHE 2013-09-18 CN claimed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US claimed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 WO claimed
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed
WO-2021153720-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT クミアイ化学工業株式会社 2021-08-05 WO disclosed
EP-3590933-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2021-01-06 EP disclosed
EP-2638031-B9 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2020-01-08 EP disclosed
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 disclosed
WO-2012075046-A9 ASSAYS AND BIOMARKERS FOR LRRK2 GENENTECH, INC. (US) 2012-09-13 WO disclosed
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 US disclosed
WO-2012075046-A1 ASSAYS AND BIOMARKERS FOR LRRK2 GENENTECH, INC. (US) 2012-06-07 WO disclosed
WO-2012062783-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2012-05-18 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-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 SMN1; SMN2 778/4885POLB 3347/4885L3MBTL1 940/4885

“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.