SCHEMBL5470802

SCHEMBL5470802

COC(=O)c1ncoc1-c1cccc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.50
EGLN1 Q9GZT9 2/20 0.45
GSK3B P49841 4/20 0.44
NOTUM Q6P988 1/20 0.43
FBP1 P09467 1/20 0.43
PIN1 Q13526 1/20 0.42
ADORA2A P29274 1/20 0.42
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM5 P41594 1/20 0.40
F11 P03951 1/20 0.39
PRKDC P78527 1/20 0.39
ATR Q13535 1/20 0.39
XDH P47989 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
ADAMTS4 O75173 1/20 0.38

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
SCHEMBL5820593 0.89 HCRTR2 (0.45) HCRTR2EGLN1GSK3BNOTUMFBP1
SCHEMBL1167684 0.84 PIN1 (0.51) HCRTR2EGLN1GSK3BNOTUMFBP1
SCHEMBL6365318 0.84 GSK3B (0.57) EGLN1GSK3BNOTUMFBP1ADORA2A
SCHEMBL9125394 0.81 GSK3B (0.64) HCRTR2GSK3BNOTUMFBP1ADORA2A
SCHEMBL1969272 0.80 ADORA2A (0.64) HCRTR2GSK3BFBP1ADORA2AMEN1
SCHEMBL1167542 0.80 FBP1 (0.47) GSK3BFBP1ADORA2AMEN1KMT2A
SCHEMBL1166876 0.79 GSK3B (0.50) HCRTR2GSK3BFBP1ADORA2AMEN1
SCHEMBL1969052 0.79 HCRTR2 (0.50) HCRTR2GSK3BNOTUMFBP1ADORA2A
SCHEMBL5474080 0.78 LOXL2 (0.51) HCRTR2GSK3BFBP1ADORA2AMEN1
SCHEMBL1166776 0.78 GSK3B (0.49) HCRTR2GSK3BFBP1ADORA2AMEN1

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-20070060589-A1 Inhibitors of protein arginine methyl transferases BRISTOL-MYERS SQUIBB COMPANY 2007-03-15 US disclosed
WO-2006069155-A2 INHIBITORS OF PROTEIN ARGININE METHYL TRANSFERASES BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-29 WO 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-20070060589-A1 Inhibitors of protein arginine methyl transferases PRMT1, PRMT3, PRMT6 HCRTR2 4705/4885EGLN1 3222/4885GSK3B 704/4885

“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.