SCHEMBL3773083

SCHEMBL3773083

COCC(=O)Nc1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.46
S1PR1 P21453 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
MAPK8 P45983 1/20 0.37
AURKB Q96GD4 3/20 0.36
PARP1 P09874 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
AURKA O14965 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL3780416 0.89 LRRK2 (0.48) LRRK2S1PR1EPHX1EPHX2MAPK8
SCHEMBL3781934 0.89 GAA (0.47) LRRK2MAPK8PARP1MEN1GAA
SCHEMBL3769308 0.87 LRRK2 (0.48) LRRK2S1PR1EPHX1EPHX2AURKB
SCHEMBL13006092 0.86 LRRK2 (0.45) LRRK2S1PR1AURKBMEN1KMT2A
SCHEMBL382086 0.85 LRRK2 (0.53) LRRK2EPHX2PARP1MEN1CYP1A2
SCHEMBL3775223 0.84 LRRK2 (0.44) LRRK2S1PR1MAPK8PARP1
SCHEMBL3772990 0.84 LRRK2 (0.43) LRRK2S1PR1PARP1
SCHEMBL13006074 0.83 GRM4 (0.47) LRRK2S1PR1AURKBPARP1MAPT
SCHEMBL13006082 0.83 LRRK2 (0.47) LRRK2AURKBMEN1KMT2AADORA3
SCHEMBL3761990 0.82 LRRK2 (0.43) LRRK2S1PR1

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 LRRK2 2309/4885S1PR1 698/4885EPHX1 2671/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885S1PR1 691/4885EPHX1 2684/4885

“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.