SCHEMBL3774010

SCHEMBL3774010

Cc1n[nH]c2ccnc(NC3CCN(C)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.53
TLR7 Q9NYK1 5/20 0.53
LRRK2 Q5S007 14/20 0.52
BRD4 O60885 1/20 0.50
ATAD2 Q6PL18 1/20 0.50
KCNH2 Q12809 1/20 0.50

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
SCHEMBL3766197 0.89 LRRK2 (0.61) LRRK2
SCHEMBL3769161 0.87 LRRK2 (0.63) LRRK2
SCHEMBL3775093 0.87 LRRK2 (0.63) LRRK2
SCHEMBL3774701 0.85 LRRK2 (0.51) TLR8TLR7LRRK2
SCHEMBL416367 0.85 LRRK2 (0.64) LRRK2
SCHEMBL3774857 0.85 LRRK2 (0.64) LRRK2
SCHEMBL381679 0.84 LRRK2 (0.51) LRRK2
SCHEMBL19566662 0.84 LRRK2 (0.52) LRRK2BRD4ATAD2
SCHEMBL3766457 0.84 LRRK2 (0.56) LRRK2
SCHEMBL3766458 0.84 LRRK2 (0.56) 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 7 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
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 TLR8 1090/4885TLR7 173/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TLR8 1057/4885TLR7 177/4885LRRK2 2208/4885

“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.