SCHEMBL5067006

SCHEMBL5067006

COc1ccc2[nH]c(-c3cc(C(F)(F)F)nn3C3CCN(CCN(C)C(=O)OC(C)(C)C)CC3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 4/20 0.37
FPR2 P25090 1/20 0.34
GSK3B P49841 1/20 0.33
F10 P00742 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TBK1 Q9UHD2 1/20 0.32
EPHX2 P34913 1/20 0.32
PLD1 Q13393 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
PIK3CA P42336 1/20 0.32
PRKAA2 P54646 1/20 0.32
CHEK2 O96017 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
SCHEMBL4564405 0.82 CARM1 (0.41)
SCHEMBL5064353 0.76 IRAK4 (0.41) IRAK4F10NPSR1L3MBTL1
SCHEMBL5066931 0.76 IRAK4 (0.36) IRAK4F10PLD1CACNA1GCACNA1B
SCHEMBL5064356 0.75 OPRM1 (0.39) IRAK4F10SIGMAR1
SCHEMBL5064402 0.74 CARM1 (0.44) IRAK4SIGMAR1
SCHEMBL5070493 0.73 IRAK4 (0.35) IRAK4F10
SCHEMBL14012647 0.71 CARM1 (0.46) IRAK4
SCHEMBL5067650 0.68 EPHX2 (0.40) EPHX2
SCHEMBL5067010 0.67 RXFP1 (0.40) L3MBTL1
SCHEMBL5066912 0.67 CARM1 (0.45) IRAK4

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 IRAK4 4200/4885FPR2 4426/4885GSK3B 187/4885

“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.