SCHEMBL382240

SCHEMBL382240

CC(=O)Nc1cccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.46
MAPK8 P45983 1/20 0.46
LRRK2 Q5S007 7/20 0.45
PARP1 P09874 6/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ACKR3 P25106 3/20 0.40
AAK1 Q2M2I8 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
SCHEMBL13006036 0.90 ACKR3 (0.47) LRRK2PARP1SMN1; SMN2ACKR3
SCHEMBL3766325 0.90 PARP1 (0.45) TTKMAPK8LRRK2PARP1NPC1
SCHEMBL3780416 0.89 LRRK2 (0.48) TTKMAPK8LRRK2
SCHEMBL3768574 0.89 ACKR3 (0.45) LRRK2PARP1NPC1ACKR3
SCHEMBL13006033 0.87 ACKR3 (0.47) LRRK2PARP1ACKR3
SCHEMBL3770059 0.86 ACKR3 (0.49) NPC1RAB9AACKR3
SCHEMBL13006042 0.85 ACKR3 (0.42) LRRK2PARP1ACKR3
SCHEMBL3775223 0.84 LRRK2 (0.44) MAPK8LRRK2PARP1
SCHEMBL3763689 0.84 LRRK2 (0.44) LRRK2PARP1
SCHEMBL3763692 0.82 LRRK2 (0.48) LRRK2PARP1

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
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
CN-102428084-A Compounds MEDICAL RES COUNCIL TECHNOLOGY 2012-04-25 CN disclosed
EP-2408772-A1 COMPOUNDS Medical Research Council Technology (GB) 2012-01-25 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
WO-2010106333-A1 COMPOUNDS MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) 2010-09-23 WO 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 TTK 3319/4885MAPK8 1739/4885LRRK2 2309/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 TTK 3301/4885MAPK8 1759/4885LRRK2 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.