SCHEMBL15528392

SCHEMBL15528392

CC1O[C@H](C)Cn2ncc(N)c21

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.42
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.30
GAA P10253 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
SCHEMBL20828043 0.76 LRRK2 (0.42) LRRK2
SCHEMBL15528301 0.73 ALDH1A1 (0.41) LRRK2KMT2ALMNAGAA
SCHEMBL20939450 0.62 PDE4A (0.36)
SCHEMBL20939716 0.60 SMPD3 (0.35)
SCHEMBL8795642 0.59 SMPD3 (0.31)
SCHEMBL24609881 0.58 KMT2A (0.44) LRRK2KMT2AGAA
SCHEMBL22169617 0.58 KMT2A (0.44) LRRK2KMT2AGAA
SCHEMBL22169616 0.58 KMT2A (0.44) LRRK2KMT2AGAA
SCHEMBL15652045 0.58 ALOX15 (0.34)
SCHEMBL15651514 0.57 PIM1 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
EP-2844658-B1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE GENENTECH INC (US) 2019-03-20 EP disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
US-9212186-B2 Bicyclic pyrazole LRRK2 small molecule inhibitors GENENTECH, INC. (US) 2015-12-15 US disclosed
EP-2844658-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE F. Hoffmann-La Roche AG (CH) 2015-03-11 EP disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 US disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 US disclosed
US-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS GENENTECH, INC. (US) 2015-02-19 US disclosed
WO-2013164323-A1 PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE 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-20150051201-A1 BICYCLIC PYRAZOLE LRRK2 SMALL MOLECULE INHIBITORS LRRK2, PARK7, PINK1 LRRK2 1/4885KMT2A 2445/4885LMNA 3588/4885

“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.