SCHEMBL875073

SCHEMBL875073

CNC(=O)c1cc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c3ccnc(OC)c23)cn1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 11/20 0.47
MAPK1 P28482 2/20 0.38
BRD4 O60885 1/20 0.34
SIRT2 Q8IXJ6 3/20 0.32
RET P07949 1/20 0.31
KDR P35968 1/20 0.31
MAP3K5 Q99683 1/20 0.31
RIPK1 Q13546 1/20 0.30

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
SCHEMBL10225768 0.92 LRRK2 (0.47) LRRK2MAPK1BRD4SIRT2RET
SCHEMBL876187 0.92 LRRK2 (0.46) LRRK2MAPK1SIRT2
SCHEMBL875083 0.92 LRRK2 (0.47) LRRK2MAPK1SIRT2
SCHEMBL883312 0.89 LRRK2 (0.45) LRRK2MAPK1SIRT2
SCHEMBL10225769 0.85 LRRK2 (0.46) LRRK2MAPK1SIRT2
SCHEMBL878421 0.84 LRRK2 (0.48) LRRK2MAPK1
SCHEMBL13966387 0.84 LRRK2 (0.52) LRRK2BRD4RETKDRMAP3K5
SCHEMBL874913 0.80 LRRK2 (0.54) LRRK2
SCHEMBL10224625 0.78 LRRK2 (0.54) LRRK2
SCHEMBL10224624 0.76 LRRK2 (0.65) 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 1512/4885MAPK1 3502/4885BRD4 533/4885

“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.