SCHEMBL810676

SCHEMBL810676

COc1cccc(C(=O)Nc2cccc(Nc3ncnc4ncccc34)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.59
KCNK3 O14649 2/20 0.57
KCNK9 Q9NPC2 2/20 0.57
MAPK14 Q16539 3/20 0.56
EGFR P00533 3/20 0.56
TSHR P16473 2/20 0.56
ALDH1A1 P00352 2/20 0.55
BRD4 O60885 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 1/20 0.53
BRAF P15056 1/20 0.51
DYRK3 O43781 1/20 0.51
MAP4K4 O95819 1/20 0.51
PDGFRA P16234 1/20 0.51

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
SCHEMBL1455842 0.91 AURKB (0.58) ABCG2KCNK3KCNK9MAPK14EGFR
SCHEMBL1455942 0.85 EGFR (0.71) ABCG2MAPK14EGFRALDH1A1NPC1
SCHEMBL810220 0.85 AURKB (0.56) ABCG2KCNK3KCNK9MAPK14EGFR
SCHEMBL1455795 0.85 KDR (0.62) ABCG2KCNK3KCNK9MAPK14EGFR
SCHEMBL810663 0.82 KCNK3 (0.60) KCNK3KCNK9MAPK14EGFRBRD4
SCHEMBL811530 0.81 EGFR (0.65) ABCG2MAPK14EGFRALDH1A1NPC1
SCHEMBL1454765 0.81 EGFR (0.56) ABCG2KCNK3KCNK9MAPK14EGFR
Hydrochloric Acid SCHEMBL6794010 0.81 MAPK14 (0.81) ABCG2MAPK14EGFRKDRAURKB
SCHEMBL810512 0.76 EGFR (0.61) ABCG2EGFRALDH1A1NPC1RAB9A
SCHEMBL810297 0.76 EGFR (0.55) ABCG2KCNK3KCNK9EGFRALDH1A1

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 ABCG2 956/4885KCNK3 4617/4885KCNK9 4468/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ABCG2 956/4885KCNK3 4617/4885KCNK9 4468/4885

“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.