SCHEMBL875097

SCHEMBL875097

c1ccc(C(c2ccccc2)(c2ccccc2)n2nc(-c3cncnc3)c3c(OC4CCCCC4)nccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.38
PDE10A Q9Y233 2/20 0.38
GRIA1 P42261 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
CDC42BPA Q5VT25 1/20 0.33
CDC42BPB Q9Y5S2 1/20 0.33

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
SCHEMBL3768507 0.87 LRRK2 (0.35) LRRK2GRIA1
SCHEMBL883253 0.87 LRRK2 (0.41) LRRK2GRIA1ROCK2ROCK1CDC42BPA
SCHEMBL875971 0.83 LRRK2 (0.37) LRRK2PDE10AGRIA1
SCHEMBL3780506 0.81 LRRK2 (0.40) LRRK2GRIA1
SCHEMBL883628 0.81 LRRK2 (0.61) LRRK2
SCHEMBL13834192 0.80 LRRK2 (0.50) LRRK2
SCHEMBL877925 0.79 LRRK2 (0.40) LRRK2GRIA1
SCHEMBL875255 0.79 LRRK2 (0.38) LRRK2GRIA1
SCHEMBL462125 0.79 HRH4 (0.43) LRRK2PDE10A
SCHEMBL876696 0.77 LRRK2 (0.42) 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 7 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
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US 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 1512/4885PDE10A 711/4885GRIA1 3438/4885

“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.