SCHEMBL810221

SCHEMBL810221

CC(C)c1ccc2c(Nc3cccc(OCc4cccc(C#N)c4)c3)ncnc2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.44
ABCG2 Q9UNQ0 4/20 0.44
TP53 P04637 1/20 0.42
MAOB P27338 3/20 0.41
SGMS2 Q8NHU3 1/20 0.40
MAOA P21397 1/20 0.39
GSK3B P49841 1/20 0.38

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
SCHEMBL810328 0.88 EGFR (0.46) EGFRABCG2TP53
SCHEMBL810672 0.87 EGFR (0.49) EGFRABCG2
SCHEMBL810793 0.86 EGFR (0.46) EGFRMAOB
SCHEMBL810883 0.86 EGFR (0.54) EGFRMAOB
SCHEMBL810369 0.84 EGFR (0.46) EGFRABCG2
SCHEMBL810897 0.81 PIM1 (0.55) MAOBMAOA
SCHEMBL810919 0.80 EGFR (0.43) EGFRABCG2TP53MAOB
SCHEMBL810995 0.74 EGFR (0.53) EGFRABCG2TP53
SCHEMBL810419 0.74 EGFR (0.48) EGFRMAOB
SCHEMBL5068944 0.72 EGFR (0.43) EGFRABCG2

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 956/4885TP53 465/4885

“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.