SCHEMBL810663

SCHEMBL810663

COc1ccccc1C(=O)Nc1cccc(Nc2ncnc3ncccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 7/20 0.60
KCNK9 Q9NPC2 7/20 0.60
KDR P35968 2/20 0.60
EGFR P00533 3/20 0.56
MAPK14 Q16539 1/20 0.56
MAPT P10636 3/20 0.56
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.55
ABL1 P00519 1/20 0.55
PDGFRB P09619 1/20 0.55
BCR P11274 1/20 0.55
PDGFRA P16234 1/20 0.55
PRKCA P17252 1/20 0.55
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
BRD4 O60885 1/20 0.51
GRM5 P41594 1/20 0.50

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
SCHEMBL810512 0.85 EGFR (0.61) EGFRMAPTKMT2AMEN1AURKA
SCHEMBL810297 0.85 EGFR (0.55) KCNK3KCNK9KDREGFRMAPT
SCHEMBL1455842 0.83 AURKB (0.58) KCNK3KCNK9EGFRMAPK14MAPT
SCHEMBL810676 0.82 ABCG2 (0.59) KCNK3KCNK9KDREGFRMAPK14
SCHEMBL1454765 0.77 EGFR (0.56) KCNK3KCNK9KDREGFRMAPK14
SCHEMBL811530 0.77 EGFR (0.65) KDREGFRMAPK14KMT2AMEN1
SCHEMBL1455795 0.76 KDR (0.62) KCNK3KCNK9KDREGFRMAPK14
SCHEMBL1455942 0.76 EGFR (0.71) KDREGFRMAPK14MAPTPDGFRB
SCHEMBL810220 0.76 AURKB (0.56) KCNK3KCNK9KDREGFRMAPK14
SCHEMBL10069479 0.72 KCNK3 (0.77) KCNK3KCNK9MAPTKMT2AMAPK1

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 11 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-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 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
US-7910595-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-22 US disclosed
EP-1979348-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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 KCNK3 4617/4885KCNK9 4468/4885KDR 3293/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KCNK3 4617/4885KCNK9 4468/4885KDR 3293/4885

“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.