SCHEMBL667874

SCHEMBL667874

C[C](C)C(=O)NC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 4/20 0.38
RAB9A P51151 2/20 0.38
CYP2C9 P11712 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.35
IMPDH2 P12268 1/20 0.33
IMPDH1 P20839 1/20 0.33
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL6859267 0.83 KDM4E (0.46) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL11281186 0.81 EPHX1 (0.44) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL138082 0.77 EPHX1 (0.41) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL669001 0.75 KDM5B (0.42) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL22366261 0.75 LMNA (0.39) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL9242168 0.75 EPHX1 (0.39) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL6749586 0.75 EPHX1 (0.39) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL6749593 0.75 EPHX1 (0.39) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL13237410 0.75 LMNA (0.39) EPHX1MEN1KMT2AKDM4ERAB9A
SCHEMBL6363154 0.73

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 34 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
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
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
EP-3124483-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2019-07-10 EP disclosed
CN-104093426-B The radioligand that the Value linear and carbon -11 that positron emission tomography (PET) for LRRK2 is imaged mark 健泰科生物技术公司 2019-06-28 CN disclosed
EP-2638031-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS GENENTECH INC (US) 2017-10-11 EP 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
US-20120045589-A1 Amidate Precursors For Depositing Metal Containing Films AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-23 US disclosed
EP-1064272-A1 CYCLOOCTADEPSIPEPTIDES AND THEIR USE FOR COMBATING ENDOPARASITES BAYER AG (DE) 2001-01-03 EP disclosed
WO-1999047506-A1 CYCLOOCTADEPSIPEPTIDES AND THEIR USE FOR COMBATING ENDOPARASITES BAYER AKTIENGESELLSCHAFT (DE) 1999-09-23 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-20120045589-A1 Amidate Precursors For Depositing Metal Containing Films TERT, METTL3, TAF5 EPHX1 3876/4885MEN1 610/4885KMT2A 1122/4885
US-20120157427-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS LRRK2, PARK7, PINK1 EPHX1 4133/4885MEN1 4356/4885KMT2A 2196/4885

“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.