SCHEMBL3763689

SCHEMBL3763689

NC(=O)c1cccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)c1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.44
ROCK2 O75116 1/20 0.41
JAK2 O60674 8/20 0.41
PARP1 P09874 2/20 0.39
MAPK14 Q16539 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL3771271 0.89 LRRK2 (0.47) LRRK2JAK2PARP1
SCHEMBL3763692 0.86 LRRK2 (0.48) LRRK2ROCK2PARP1
SCHEMBL382240 0.84 TTK (0.46) LRRK2PARP1
SCHEMBL3762154 0.83 LRRK2 (0.53) LRRK2
SCHEMBL13006036 0.83 ACKR3 (0.47) LRRK2PARP1
SCHEMBL3770059 0.83 ACKR3 (0.49) JAK2
SCHEMBL381702 0.82 LRRK2 (0.48) LRRK2PARP1
SCHEMBL3768574 0.82 ACKR3 (0.45) LRRK2PARP1
SCHEMBL13060943 0.81 ULK1 (0.44) LRRK2PARP1
SCHEMBL3799432 0.80 HTR2B (0.44) LRRK2ROCK2

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 3 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
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

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 2309/4885ROCK2 3288/4885JAK2 1557/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885ROCK2 3247/4885JAK2 1492/4885

“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.