SCHEMBL810871

SCHEMBL810871

N#Cc1ccccc1COc1cccc(Nc2ncnc3ncccc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
SGMS2 Q8NHU3 2/20 0.46
ABCG2 Q9UNQ0 9/20 0.43
KDR P35968 2/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43
PDGFRA P16234 1/20 0.43
LTK P29376 1/20 0.43
GRK5 P34947 1/20 0.43
MAPK8 P45983 1/20 0.43
CDK8 P49336 1/20 0.43
CDK7 P50613 1/20 0.43
IRAK1 P51617 1/20 0.43
NEK4 P51957 1/20 0.43
LIMK1 P53667 1/20 0.43
ACVR1 Q04771 1/20 0.43
TNK2 Q07912 1/20 0.43
DYRK1A Q13627 1/20 0.43
MAPK14 Q16539 1/20 0.43
LRRK2 Q5S007 1/20 0.43

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
SCHEMBL810995 0.83 EGFR (0.53) EGFRABCG2KDRDYRK3MAP4K4
SCHEMBL810280 0.78 EGFR (0.57) EGFRABCG2KDRDYRK3MAP4K4
SCHEMBL810989 0.78 EGFR (0.57) EGFRABCG2KDRDYRK3MAP4K4
SCHEMBL810868 0.77 EGFR (0.65) EGFRABCG2KDRDYRK3MAP4K4
SCHEMBL810666 0.76 EGFR (0.55) EGFRSGMS2ABCG2HTTRAB9A
SCHEMBL7535445 0.71 EGFR (0.68) EGFRABCG2KDRMAP4K4LTK
SCHEMBL250318 0.69 EGFR (1.00) EGFRABCG2AURKB
SCHEMBL809840 0.69 EGFR (0.71) EGFRABCG2PDGFRAMAPK14HTT
SCHEMBL810421 0.69 EGFR (0.71) EGFRABCG2KDRAURKBCLK4
SCHEMBL811204 0.69 MAOB (0.55) NPC1RAB9AALDH1A1SPHK2SPHK1

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 2701/4885SGMS2 3608/4885ABCG2 956/4885

“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.