SCHEMBL876162

SCHEMBL876162

COc1nccc2c1c(-c1ccncc1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NSD3 Q9BZ95 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SRC P12931 2/20 0.33
ABL1 P00519 1/20 0.33
LRRK2 Q5S007 3/20 0.33
SQOR Q9Y6N5 1/20 0.33
MAPK14 Q16539 2/20 0.32
KHK P50053 1/20 0.32
BRAF P15056 1/20 0.32
MAPK13 O15264 1/20 0.32
RAF1 P04049 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32

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
SCHEMBL875098 0.88 ADORA2A (0.36) MAPK1ACSS2LRRK2PTGS2
SCHEMBL874917 0.85 MAPK1 (0.35) MAPK1ACSS2LRRK2
SCHEMBL875506 0.83 LRRK2 (0.54) LRRK2MAPK14
SCHEMBL875386 0.81 MAPK1 (0.37) MAPK1ACSS2
SCHEMBL13834208 0.79 LRRK2 (0.58) MAPK1CDK2LRRK2
SCHEMBL875083 0.78 LRRK2 (0.47) MAPK1ALDH1A1LRRK2
SCHEMBL13834310 0.78 LRRK2 (0.57) MAPK1LRRK2
SCHEMBL876187 0.77 LRRK2 (0.46) MAPK1ALDH1A1LRRK2
SCHEMBL13966439 0.76 AURKA (0.41) MAPTNSD3LRRK2MAPK14MAPK13
SCHEMBL875073 0.76 LRRK2 (0.47) MAPK1LRRK2

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 4 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

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 MAPT 40/4885MAPK1 3502/4885NSD3 2924/4885

“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.