SCHEMBL3775223

SCHEMBL3775223

CC(=O)Nc1ccc(C(=O)Nc2ccc(CCc3n[nH]c4ccnc(NC5CCCCC5)c34)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.44
PARP1 P09874 1/20 0.42
MAPK8 P45983 1/20 0.41
S1PR1 P21453 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
TRPV1 Q8NER1 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
SCHEMBL3780416 0.95 LRRK2 (0.48) LRRK2MAPK8S1PR1
SCHEMBL3766325 0.94 PARP1 (0.45) LRRK2PARP1MAPK8TRPV1
SCHEMBL3761990 0.91 LRRK2 (0.43) LRRK2S1PR1CTNNB1TCF7L2
SCHEMBL3772990 0.91 LRRK2 (0.43) LRRK2PARP1S1PR1CTNNB1TCF7L2
SCHEMBL13006065 0.90 LRRK2 (0.47) LRRK2PARP1
SCHEMBL13006076 0.88 FLT3 (0.41) LRRK2S1PR1CTNNB1TCF7L2TRPV1
SCHEMBL3770280 0.88 FLT3 (0.43) LRRK2S1PR1CTNNB1TCF7L2TRPV1
SCHEMBL3772259 0.87 SMN1; SMN2 (0.44) LRRK2PARP1S1PR1
SCHEMBL13006074 0.85 GRM4 (0.47) LRRK2PARP1S1PR1
SCHEMBL3799432 0.85 HTR2B (0.44) LRRK2S1PR1CTNNB1TCF7L2

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 2309/4885PARP1 2278/4885MAPK8 1739/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885PARP1 2269/4885MAPK8 1759/4885

“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.