SCHEMBL883223

SCHEMBL883223

O=C(c1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1)N1CCN(C2CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.55
MAPK10 P53779 1/20 0.50
HRH3 Q9Y5N1 5/20 0.43
KDM4E B2RXH2 3/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL3 Q96JM7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 1/20 0.40
PARP1 P09874 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NAMPT P43490 1/20 0.39

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
SCHEMBL10225283 0.91 LRRK2 (0.49) LRRK2MAPK10HRH3PARP1
SCHEMBL3775077 0.90 LRRK2 (0.48) LRRK2MAPK10HRH3HPGDPARP1
SCHEMBL3777344 0.90 LRRK2 (0.46) LRRK2MAPK10HPGD
SCHEMBL3767028 0.87 LRRK2 (0.47) LRRK2MAPK10HPGDALDH1A1
SCHEMBL13006057 0.85 LRRK2 (0.45) LRRK2MAPK10
SCHEMBL10224703 0.85 LRRK2 (0.71) LRRK2MAPK10HRH3KDM4EPOLB
SCHEMBL381702 0.85 LRRK2 (0.48) LRRK2PARP1
SCHEMBL3771271 0.84 LRRK2 (0.47) LRRK2PARP1
SCHEMBL382086 0.82 LRRK2 (0.53) LRRK2POLBSMN1; SMN2HPGDPARP1
SCHEMBL3772615 0.82 LRRK2 (0.41) LRRK2ALDH1A1HTTNAMPT

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
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US disclosed
US-20120295883-A1 COMPOUNDS GENENTECH, INC. (US) 2012-11-22 US 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 LRRK2 1512/4885MAPK10 3550/4885HRH3 2714/4885

“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.