SCHEMBL5060488

SCHEMBL5060488

CC(=O)Oc1cccc(Br)c1C(=O)Nc1nc(C(C)(C)C)c(N2CCOCC2)s1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.37
ADORA1 P30542 4/20 0.37
LRRK2 Q5S007 3/20 0.37
HCAR1 Q9BXC0 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPK1 P28482 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
BACE1 P56817 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL3284041 0.83 LRRK2 (0.45) ADORA2AADORA1LRRK2HCAR1HCAR2
SCHEMBL5065111 0.82 ALDH1A1 (0.51) ADORA2AADORA1MAPK1MEN1GAA
SCHEMBL330057 0.75 LRRK2 (0.48) LRRK2MAPTBACE1
SCHEMBL331551 0.75 TRPV4 (0.47) ADORA2AADORA1MAPK1MEN1GAA
SCHEMBL330406 0.75 DRD3 (0.45) ADORA2AADORA1LRRK2MAPK1MEN1
SCHEMBL330453 0.74 MEN1 (0.46) MAPK1MEN1MAPTKMT2A
SCHEMBL18113822 0.67 ADORA2A (0.42) ADORA2AADORA1LRRK2ADORA3ADORA2B
SCHEMBL332076 0.67 TRPV4 (0.41) LRRK2MEN1MAPTKMT2ANPC1
SCHEMBL330623 0.66 MEN1 (0.39) LRRK2MEN1GAAMAPTKMT2A
SCHEMBL330102 0.65 TRPV4 (0.45)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 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 (1 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-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A ADORA2A 2328/4885ADORA1 2004/4885LRRK2 774/4885

“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.