SCHEMBL3771271

SCHEMBL3771271

NC(=O)c1ccc(CCc2n[nH]c3ccnc(NC4CCCCC4)c23)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 9/20 0.47
STAT6 P42226 1/20 0.41
JAK2 O60674 6/20 0.41
SYK P43405 1/20 0.38
PARP1 P09874 1/20 0.38
PRKD1 Q15139 1/20 0.37
PRKD2 Q9BZL6 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
SCHEMBL381702 0.91 LRRK2 (0.48) LRRK2PARP1
SCHEMBL3763689 0.89 LRRK2 (0.44) LRRK2JAK2PARP1
SCHEMBL382086 0.89 LRRK2 (0.53) LRRK2PARP1
SCHEMBL13006065 0.88 LRRK2 (0.47) LRRK2PARP1
SCHEMBL3771277 0.87 LRRK2 (0.51) LRRK2
SCHEMBL3761990 0.85 LRRK2 (0.43) LRRK2
SCHEMBL3780416 0.85 LRRK2 (0.48) LRRK2SYK
SCHEMBL3767028 0.85 LRRK2 (0.47) LRRK2
SCHEMBL10225283 0.85 LRRK2 (0.49) LRRK2PARP1
SCHEMBL3762154 0.84 LRRK2 (0.53) LRRK2

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 2309/4885STAT6 1576/4885JAK2 1557/4885
US-20100317646-A1 COMPOUNDS CBR3, CNR1, HCAR3 LRRK2 2208/4885STAT6 1482/4885JAK2 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.