SCHEMBL2631200

SCHEMBL2631200

COc1nc(C)cc2[nH]nc(-c3cnn(C4CCOCC4)c3)c12

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 17/20 0.71
PIK3CD O00329 1/20 0.45
PIK3CA P42336 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR3 P22607 1/20 0.45
MAP3K5 Q99683 1/20 0.44

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
SCHEMBL2630709 0.91 LRRK2 (0.69) LRRK2
SCHEMBL883243 0.83 LRRK2 (1.00) LRRK2
SCHEMBL10225340 0.77 LRRK2 (1.00) LRRK2
SCHEMBL883251 0.75 LRRK2 (1.00) LRRK2
SCHEMBL883337 0.74 LRRK2 (0.80) LRRK2
SCHEMBL878628 0.71 LRRK2 (1.00) LRRK2
SCHEMBL875354 0.71 LRRK2 (1.00) LRRK2
SCHEMBL875353 0.71 LRRK2 (1.00) LRRK2
SCHEMBL875546 0.71 LRRK2 (1.00) LRRK2
SCHEMBL883248 0.69 LRRK2 (0.81) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
US-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2013-10-10 US disclosed
EP-2569293-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 Medical Research Council Technology (GB) 2013-03-20 EP disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 WO disclosed
WO-2011141756-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2011-11-17 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-20130267513-A1 PYRAZOLOPYRIDINES AS INHIBITORS OF THE KINASE LRRK2 LRRK2, PARK7, GRK3 LRRK2 1/4885PIK3CD 891/4885PIK3CA 793/4885

“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.