SCHEMBL5064356

SCHEMBL5064356

COc1cccc(N(N)C(=O)c2cc(C(F)(F)F)nn2C2CCN(CCN(C)C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.39
IRAK4 Q9NWZ3 1/20 0.37
F10 P00742 4/20 0.37
SIGMAR1 Q99720 1/20 0.37
OPRD1 P41143 6/20 0.36
DRD4 P21917 1/20 0.36
ACHE P22303 1/20 0.36
OPRK1 P41145 5/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
LCK P06239 1/20 0.35
SRC P12931 1/20 0.35
ABL2 P42684 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34

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
SCHEMBL5066931 0.81 IRAK4 (0.36) IRAK4F10DRD4
SCHEMBL5064353 0.81 IRAK4 (0.41) IRAK4F10ABL1SRC
SCHEMBL5070493 0.78 IRAK4 (0.35) IRAK4F10KMT2A
SCHEMBL14012647 0.77 CARM1 (0.46) IRAK4
SCHEMBL5067006 0.75 IRAK4 (0.37) IRAK4F10SIGMAR1
SCHEMBL5067650 0.74 EPHX2 (0.40)
SCHEMBL5066912 0.73 CARM1 (0.45) IRAK4
SCHEMBL5066914 0.73 CARM1 (0.45) IRAK4
SCHEMBL5067010 0.73 RXFP1 (0.40)
SCHEMBL5064402 0.72 CARM1 (0.44) IRAK4SIGMAR1

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 OPRM1 170/4885IRAK4 4200/4885F10 4114/4885

“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.