SCHEMBL5569223

SCHEMBL5569223

COc1cc2ncnc(Nc3ccc(NC(=O)CC#N)cc3)c2cc1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.77
EGFR P00533 7/20 0.71
PIK3CD O00329 1/20 0.68
PIK3CA P42336 1/20 0.68
PIK3CB P42338 1/20 0.68
PIK3CG P48736 1/20 0.68
AURKA O14965 1/20 0.64
AURKB Q96GD4 1/20 0.64
GAK O14976 1/20 0.63
RIPK2 O43353 1/20 0.63
STK10 O94804 1/20 0.63
RET P07949 1/20 0.63
FLT3 P36888 1/20 0.63
JAK3 P52333 1/20 0.63
AAK1 Q2M2I8 1/20 0.63
Q6ZSR9 Q6ZSR9 1/20 0.63
SLK Q9H2G2 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.63
RPS6KA6 Q9UK32 1/20 0.63
ALK Q9UM73 1/20 0.63

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
SCHEMBL5565237 0.91 EGFR (0.67) KDREGFRRET
SCHEMBL31067650 0.80 KDR (0.83) KDREGFRAURKAAURKB
SCHEMBL31067666 0.80 KDR (1.00) KDREGFRAURKAAURKB
SCHEMBL31067640 0.80 KDR (0.84) KDREGFRAURKAAURKBGAK
SCHEMBL31067662 0.79 EGFR (0.82) KDREGFRAURKAAURKB
SCHEMBL31067708 0.79 KDR (0.82) KDREGFRAURKAAURKBGAK
SCHEMBL31067633 0.79 KDR (0.82) KDREGFRAURKAAURKB
SCHEMBL12069005 0.79 SRC (0.82) KDREGFRAURKAAURKBGAK
SCHEMBL5473733 0.78 KDR (0.74) KDREGFRAURKAAURKBGAK
SCHEMBL6026878 0.78 KDR (0.63) KDREGFR

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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 US claimed
US-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections GPC BIOTECH AG (DE) 2007-05-31 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-20070123537-A1 Quinazoline derivatives for the treatment of herpesviral infections IRF3, PML, TPMT KDR 2712/4885EGFR 1445/4885PIK3CD 978/4885

“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.