SCHEMBL878162

SCHEMBL878162

CCOc1nccc2c1c(-c1ccnc(N3CCOCC3)c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.47
PIK3CA P42336 1/20 0.40
SMG1 Q96Q15 2/20 0.39
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
MTOR P42345 1/20 0.37

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
SCHEMBL876616 0.90 LRRK2 (0.60) LRRK2SMG1MTOR
SCHEMBL10224711 0.86 LRRK2 (0.60) LRRK2
SCHEMBL13834275 0.84 LRRK2 (0.47) LRRK2PIK3CASMG1MTOR
SCHEMBL13966402 0.83 LRRK2 (0.52) LRRK2PIK3CA
SCHEMBL2630810 0.82 LRRK2 (0.49) LRRK2SMG1MTOR
SCHEMBL875506 0.82 LRRK2 (0.54) LRRK2
SCHEMBL10225770 0.82 LRRK2 (0.63) LRRK2
SCHEMBL13834183 0.82 LRRK2 (0.60) LRRK2
SCHEMBL16025891 0.78 LRRK2 (0.47) LRRK2PIK3CASMG1
SCHEMBL17430375 0.78 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
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 1512/4885PIK3CA 414/4885SMG1 2840/4885

“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.