SCHEMBL874917

SCHEMBL874917

COc1nccc2c1c(-c1cn[nH]c1)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.35
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
FYN P06241 1/20 0.34
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 1/20 0.33
CHEK1 O14757 2/20 0.32
PIM1 P11309 1/20 0.32
CHEK2 O96017 1/20 0.32
ACSS2 Q9NR19 1/20 0.32
GRM4 Q14833 1/20 0.32
LRRK2 Q5S007 3/20 0.31
PIK3CG P48736 2/20 0.31
PIK3CD O00329 1/20 0.31
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
ALK Q9UM73 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL883230 0.89 LRRK2 (0.36) MAPK1AKT1AKT2FYNROCK2
SCHEMBL876162 0.85 MAPT (0.36) MAPK1ACSS2LRRK2
SCHEMBL883253 0.83 LRRK2 (0.41) ROCK2ROCK1LRRK2
SCHEMBL13834192 0.82 LRRK2 (0.50) LRRK2
SCHEMBL875098 0.80 ADORA2A (0.36) MAPK1ROCK2ACSS2LRRK2
SCHEMBL13966426 0.79 LRRK2 (0.35) FYNROCK2ROCK1CHEK1GRM4
SCHEMBL875386 0.77 MAPK1 (0.37) MAPK1ACSS2
SCHEMBL875506 0.76 LRRK2 (0.54) LRRK2
SCHEMBL13834310 0.76 LRRK2 (0.57) MAPK1PIM1LRRK2PIK3CDPIK3CA
SCHEMBL875083 0.74 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 MAPK1 3502/4885AKT1 4134/4885AKT2 3912/4885

“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.