SCHEMBL3776200

SCHEMBL3776200

c1ccc(-c2n[nH]c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 16/20 0.69
UTS2R Q9UKP6 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HSP90AA1 P07900 1/20 0.47
SLC2A1 P11166 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
NCOA1 Q15788 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
TTK P33981 1/20 0.47
PDE5A O76074 1/20 0.42
ACP1 P24666 1/20 0.42

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
SCHEMBL3774582 0.88 LRRK2 (0.67) LRRK2
SCHEMBL16864470 0.88 LRRK2 (0.66) LRRK2UTS2R
SCHEMBL3774979 0.88 LRRK2 (0.66) LRRK2
SCHEMBL878306 0.88 LRRK2 (0.76) LRRK2UTS2RTTK
SCHEMBL3775348 0.88 LRRK2 (0.69) LRRK2
SCHEMBL3775922 0.86 LRRK2 (0.64) LRRK2KDM4E
SCHEMBL3766531 0.86 LRRK2 (0.61) LRRK2
SCHEMBL19565038 0.85 LRRK2 (0.62) LRRK2
SCHEMBL13005970 0.85 LRRK2 (0.62) LRRK2
SCHEMBL3766808 0.85 LRRK2 (0.66) 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 11 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
CN-102428084-B Compound MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2016-05-18 CN disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
EP-2408772-B1 COMPOUNDS MEDICAL RES COUNCIL TECHNOLOGY (GB) 2015-07-01 EP disclosed
CN-102428084-A Compounds MEDICAL RES COUNCIL TECHNOLOGY 2012-04-25 CN 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
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 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 (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 2309/4885UTS2R 452/4885KDM4E 3996/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885UTS2R 454/4885KDM4E 4033/4885

“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.