SCHEMBL3766531

SCHEMBL3766531

Clc1cccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.61
MAP4K4 O95819 2/20 0.45
ADORA1 P30542 2/20 0.44
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
FYN P06241 1/20 0.42
NUDT1 P36639 1/20 0.40

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
SCHEMBL3775922 0.87 LRRK2 (0.64) LRRK2ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3774979 0.86 LRRK2 (0.66) LRRK2
SCHEMBL3776200 0.86 LRRK2 (0.69) LRRK2
SCHEMBL3766647 0.84 LRRK2 (0.61) LRRK2ADORA2A
SCHEMBL3775368 0.84 LRRK2 (0.58) LRRK2
SCHEMBL3774582 0.82 LRRK2 (0.67) LRRK2
SCHEMBL382472 0.81 TTK (0.58) LRRK2
SCHEMBL13005969 0.81 LRRK2 (0.60) LRRK2ADORA2A
SCHEMBL3770024 0.81 LRRK2 (0.59) LRRK2
SCHEMBL3768868 0.80 LRRK2 (0.64) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
US-20170320870-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2017-11-09 US disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 US disclosed
US-20100317646-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-12-16 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 (2 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-20170320870-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2309/4885MAP4K4 3197/4885ADORA1 1111/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885MAP4K4 3220/4885ADORA1 1127/4885

“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.