SCHEMBL13834302

SCHEMBL13834302

COc1ccc(Cn2nc(C=CC(=O)O)c3c(NC4CCOCC4)nccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
LRRK2 Q5S007 3/20 0.41
PDE1B Q01064 4/20 0.39
PDE1A P54750 3/20 0.39
PDE1C Q14123 3/20 0.39
MAPK1 P28482 1/20 0.38
AOC3 Q16853 2/20 0.37
PDE4B Q07343 1/20 0.36
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GPR6 P46095 1/20 0.35
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
MAOB P27338 1/20 0.34
HTR6 P50406 1/20 0.34
LTB4R Q15722 1/20 0.34

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
SCHEMBL13834301 1.00 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL10225762 0.93 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL19730493 0.86 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL416412 0.85 JAK2 (0.48) JAK2AOC3ALDH1A1L3MBTL1
SCHEMBL416411 0.85 JAK2 (0.48) JAK2AOC3ALDH1A1L3MBTL1
SCHEMBL21434366 0.84 JAK2 (0.39) JAK2ALDH1A1L3MBTL1LTB4R
SCHEMBL3770100 0.83 JAK2 (0.47) JAK2AOC3ALDH1A1
SCHEMBL3770096 0.83 JAK2 (0.47) JAK2AOC3ALDH1A1
SCHEMBL883468 0.82 JAK2 (0.48) JAK2LRRK2PDE1BPDE1APDE1C
SCHEMBL10224630 0.82 JAK2 (0.47) JAK2LRRK2PDE1BPDE1APDE1C

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 2 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
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US 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 JAK2 2080/4885LRRK2 1512/4885PDE1B 2865/4885

“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.