SCHEMBL876616

SCHEMBL876616

FC(F)(F)COc1nccc2c1c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 10/20 0.60
SMG1 Q96Q15 2/20 0.42
MTOR P42345 1/20 0.42
ABL1 P00519 2/20 0.41
RAF1 P04049 6/20 0.38
BRAF P15056 6/20 0.38

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
SCHEMBL878162 0.90 LRRK2 (0.47) LRRK2SMG1MTOR
SCHEMBL10224711 0.84 LRRK2 (0.60) LRRK2
SCHEMBL13834275 0.83 LRRK2 (0.47) LRRK2SMG1MTOR
SCHEMBL13834183 0.80 LRRK2 (0.60) LRRK2
SCHEMBL2630810 0.79 LRRK2 (0.49) LRRK2SMG1MTOR
SCHEMBL875506 0.79 LRRK2 (0.54) LRRK2
SCHEMBL10225770 0.79 LRRK2 (0.63) LRRK2
SCHEMBL875707 0.75 LRRK2 (1.00) LRRK2
SCHEMBL16025749 0.75 LRRK2 (0.47) LRRK2SMG1MTORABL1RAF1
SCHEMBL16025720 0.75 LRRK2 (0.48) LRRK2SMG1MTOR

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
CN-103261196-A Pyrazolopyridines as inhibitors of the kinase lrrk2 MEDICAL RES COUNCIL TECHNOLOGY 2013-08-21 CN 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

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 1512/4885SMG1 2840/4885MTOR 2599/4885

“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.