SCHEMBL5064191

SCHEMBL5064191

CC(NC(=O)OC(C)(C)C)C(=O)N(C)c1cccc(-n2nc(C(F)(F)F)cc2-c2ccco2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 4/20 0.34
ADORA1 P30542 3/20 0.34
ADORA2B P29275 1/20 0.34
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL5064192 1.00 ADORA3 (0.40) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL5069679 0.88 ADORA3 (0.39) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL5069677 0.88 ADORA3 (0.39) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL5064370 0.87 ADORA3 (0.38) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL5064375 0.87 ADORA3 (0.38) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL4564046 0.83 ADORA3 (0.38) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL5070345 0.83 ADORA3 (0.38) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL4563438 0.83 ADORA3 (0.37) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL4563437 0.83 ADORA3 (0.37) ADORA3KDM4EALDH1A1HPGDTSHR
SCHEMBL5064195 0.83 ADORA3 (0.42) ADORA3KDM4EALDH1A1HPGDADORA2A

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 2 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-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 1430/4885KDM4E 369/4885ALDH1A1 2119/4885

“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.