SCHEMBL810989

SCHEMBL810989

Fc1ccc(COc2cccc(Nc3ncnc4ncccc34)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.57
ABCG2 Q9UNQ0 9/20 0.48
MAOB P27338 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
AURKB Q96GD4 2/20 0.45
CLK4 Q9HAZ1 2/20 0.45
DYRK3 O43781 1/20 0.45
MAP4K4 O95819 1/20 0.45
PDGFRA P16234 1/20 0.45
LTK P29376 1/20 0.45
GRK5 P34947 1/20 0.45
KDR P35968 1/20 0.45
MAPK8 P45983 1/20 0.45
CDK8 P49336 1/20 0.45
CDK7 P50613 1/20 0.45
IRAK1 P51617 1/20 0.45
NEK4 P51957 1/20 0.45
LIMK1 P53667 1/20 0.45
ACVR1 Q04771 1/20 0.45
TNK2 Q07912 1/20 0.45

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
SCHEMBL810280 0.93 EGFR (0.57) EGFRABCG2SMN1; SMN2AURKBCLK4
SCHEMBL810666 0.91 EGFR (0.55) EGFRABCG2MAOBHTTRAB9A
SCHEMBL810868 0.90 EGFR (0.65) EGFRABCG2MAOBAURKBCLK4
SCHEMBL810995 0.87 EGFR (0.53) EGFRABCG2SMN1; SMN2AURKBCLK4
SCHEMBL810871 0.78 EGFR (0.52) EGFRABCG2MAOBSMN1; SMN2AURKB
SCHEMBL810421 0.78 EGFR (0.71) EGFRABCG2SMN1; SMN2AURKBCLK4
SCHEMBL810867 0.78 EGFR (0.48) EGFRABCG2SMN1; SMN2AURKBCLK4
SCHEMBL5134144 0.77 MAOB (0.44) MAOBSMN1; SMN2NPC1LMNARAB9A
SCHEMBL810419 0.76 EGFR (0.48) EGFRMAOBERBB2
SCHEMBL1387183 0.75 EGFR (0.75) EGFRABCG2SMN1; SMN2AURKBCLK4

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 956/4885MAOB 3352/4885

“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.