SCHEMBL3763692

SCHEMBL3763692

Nc1cccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 14/20 0.48
PARP1 P09874 1/20 0.43
UTS2R Q9UKP6 1/20 0.38
GRM4 Q14833 1/20 0.38
ROCK2 O75116 1/20 0.37
CCR2 P41597 1/20 0.37
ROCK1 Q13464 1/20 0.37
BRS3 P32247 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
SCHEMBL3771277 0.88 LRRK2 (0.51) LRRK2UTS2RBRS3
SCHEMBL3762154 0.87 LRRK2 (0.53) LRRK2UTS2RBRS3
SCHEMBL3763689 0.86 LRRK2 (0.44) LRRK2PARP1ROCK2
SCHEMBL13060943 0.84 ULK1 (0.44) LRRK2PARP1
SCHEMBL414158 0.83 LRRK2 (0.53) LRRK2UTS2R
SCHEMBL382240 0.82 TTK (0.46) LRRK2PARP1
SCHEMBL13006036 0.82 ACKR3 (0.47) LRRK2PARP1
SCHEMBL27933574 0.81 LRRK2 (0.51) LRRK2UTS2R
SCHEMBL3768574 0.80 ACKR3 (0.45) LRRK2PARP1
SCHEMBL382225 0.79 LRRK2 (0.51) LRRK2UTS2RGRM4

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 9 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
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
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 2309/4885PARP1 2278/4885UTS2R 452/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885PARP1 2269/4885UTS2R 454/4885

“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.