SCHEMBL877947

SCHEMBL877947

CC(C)n1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccnc(OCC(F)(F)F)c23)cn1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.58
PDK2 Q15119 3/20 0.34
JAK2 O60674 7/20 0.33
TYK2 P29597 7/20 0.33
JAK1 P23458 6/20 0.33
JAK3 P52333 6/20 0.33
SCN9A Q15858 1/20 0.32
HSP90AA1 P07900 1/20 0.31

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
SCHEMBL875513 0.87 LRRK2 (0.59) LRRK2PDK2JAK2TYK2JAK1
SCHEMBL13966403 0.84 LRRK2 (0.66) LRRK2JAK2TYK2JAK1JAK3
SCHEMBL875535 0.82 LRRK2 (0.38) LRRK2PDK2JAK2TYK2JAK1
SCHEMBL877995 0.76 ACSS2 (0.35) LRRK2JAK2TYK2JAK1JAK3
SCHEMBL876616 0.73 LRRK2 (0.60) LRRK2
SCHEMBL2630815 0.72 LRRK2 (0.47) LRRK2
SCHEMBL883230 0.71 LRRK2 (0.36) LRRK2
SCHEMBL13966407 0.70 LRRK2 (0.67) LRRK2PDK2JAK2TYK2JAK1
SCHEMBL874917 0.70 MAPK1 (0.35) LRRK2
SCHEMBL876162 0.69 MAPT (0.36) LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569281-B2 Compounds and their administration for treating a neurodegenerative disease as well as a method for identifying a compound capable of inhibiting a kinase, such as LRRK MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-29 US disclosed
EP-2619201-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-07-31 EP disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 WO disclosed
WO-2012038743-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2012-03-29 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-20120295883-A1 COMPOUNDS ABCC5, PRNP, PC LRRK2 1512/4885PDK2 68/4885JAK2 2080/4885

“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.