SCHEMBL810995

SCHEMBL810995

N#Cc1ccc(COc2cccc(Nc3ncnc4ncccc34)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.53
ABCG2 Q9UNQ0 9/20 0.48
SMPD1 P17405 1/20 0.45
AURKB Q96GD4 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
ERBB2 P04626 2/20 0.43
CHEK2 O96017 1/20 0.43
ROS1 P08922 1/20 0.43
FLT3 P36888 1/20 0.43
ERBB4 Q15303 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
DYRK3 O43781 1/20 0.42
MAP4K4 O95819 1/20 0.42
PDGFRA P16234 1/20 0.42
LTK P29376 1/20 0.42
GRK5 P34947 1/20 0.42
KDR P35968 1/20 0.42
MAPK8 P45983 1/20 0.42
CDK8 P49336 1/20 0.42
CDK7 P50613 1/20 0.42

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
SCHEMBL810989 0.87 EGFR (0.57) EGFRABCG2AURKBCLK4ERBB2
SCHEMBL810868 0.86 EGFR (0.65) EGFRABCG2AURKBCLK4ERBB2
SCHEMBL810919 0.85 EGFR (0.43) EGFRABCG2SMPD1AURKBCLK4
SCHEMBL810280 0.83 EGFR (0.57) EGFRABCG2AURKBCLK4DYRK3
SCHEMBL810871 0.83 EGFR (0.52) EGFRABCG2AURKBCLK4DYRK3
SCHEMBL810666 0.81 EGFR (0.55) EGFRABCG2ERBB2HTTRAB9A
SCHEMBL810225 0.78 PIM1 (0.53) EGFRABCG2SMPD1AURKBCLK4
SCHEMBL810421 0.77 EGFR (0.71) EGFRABCG2AURKBCLK4ERBB2
SCHEMBL810221 0.74 EGFR (0.44) EGFRABCG2TP53
SCHEMBL1387183 0.72 EGFR (0.75) EGFRABCG2AURKBCLK4ERBB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 EGFR 2701/4885ABCG2 956/4885SMPD1 3857/4885

“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.