SCHEMBL811077

SCHEMBL811077

Cc1ccc2c(Nc3cccc(Br)c3)ncnc2n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGFR P00533 17/20 0.73
EPHB2 P29323 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
FBP1 P09467 1/20 0.57
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
INCENP Q9NQS7 1/20 0.55
ERBB2 P04626 1/20 0.55
MAPK1 P28482 1/20 0.54

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
SCHEMBL810367 0.85 EGFR (0.57) EGFREPHB2FBP1
SCHEMBL6833192 0.85 EGFR (1.00) EGFREPHB2ABCG2FBP1AURKA
SCHEMBL6836376 0.84 EGFR (1.00) EGFREPHB2ABCG2FBP1AURKA
SCHEMBL810087 0.84 EGFR (0.53) EGFREPHB2ABCG2FBP1MAPK1
SCHEMBL6837272 0.84 EGFR (1.00) EGFREPHB2ABCG2FBP1AURKA
SCHEMBL6837611 0.84 EGFR (1.00) EGFREPHB2ABCG2FBP1
SCHEMBL6833180 0.84 EGFR (1.00) EGFREPHB2ABCG2FBP1ERBB2
SCHEMBL810763 0.81 EGFR (0.50) EGFRABCG2MAPK1
SCHEMBL810764 0.81 EGFR (0.50) EGFRABCG2MAPK1
SCHEMBL250318 0.80 EGFR (1.00) EGFRABCG2FBP1AURKAAURKB

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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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 2701/4885EPHB2 4447/4885ABCG2 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.