SCHEMBL5069683

SCHEMBL5069683

C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1csc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.42
ADORA2A P29274 3/20 0.37
CARM1 Q86X55 3/20 0.37
PTGER1 P34995 1/20 0.37
ADORA1 P30542 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL5069680 1.00 ADORA3 (0.42) ADORA3ADORA2ACARM1PTGER1ADORA1
SCHEMBL5064195 0.88 ADORA3 (0.42) ADORA3ADORA2ACARM1LMNAPOLB
SCHEMBL5064194 0.88 ADORA3 (0.42) ADORA3ADORA2ACARM1LMNAPOLB
SCHEMBL4563439 0.88 ADORA3 (0.40) ADORA3CARM1LMNAPOLB
SCHEMBL4563441 0.88 ADORA3 (0.40) ADORA3CARM1LMNAPOLB
SCHEMBL4564047 0.85 ADORA3 (0.41) ADORA3CARM1LMNAPOLBCTSS
SCHEMBL5070346 0.85 ADORA3 (0.41) ADORA3CARM1LMNAPOLBCTSS
SCHEMBL5069677 0.83 ADORA3 (0.39) ADORA3ADORA2APTGER1ADORA1ADORA2B
SCHEMBL5069679 0.83 ADORA3 (0.39) ADORA3ADORA2APTGER1ADORA1ADORA2B
SCHEMBL5064380 0.83 ADORA3 (0.40) ADORA3CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 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-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 ADORA3 1430/4885ADORA2A 2458/4885CARM1 1/4885

“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.