SCHEMBL3969656

SCHEMBL3969656

CS(=O)(=O)CCNCc1ccc(C#Cc2cncnc2Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)o1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.79
ERBB2 P04626 18/20 0.74
MEN1 O00255 1/20 0.66
PIK3C2B O00750 1/20 0.66
MAP2K7 O14733 1/20 0.66
RIPK2 O43353 1/20 0.66
PIK3C2G O75747 1/20 0.66
STK10 O94804 1/20 0.66
ABCB11 O95342 1/20 0.66
ABL1 P00519 1/20 0.66
INSR P06213 1/20 0.66
RET P07949 1/20 0.66
CYP3A4 P08684 1/20 0.66
PDGFRB P09619 1/20 0.66
SRC P12931 1/20 0.66
CYP3A5 P20815 1/20 0.66
ERBB3 P21860 1/20 0.66
CDK2 P24941 1/20 0.66
KMT2A Q03164 1/20 0.66
KCNH2 Q12809 1/20 0.66

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
SCHEMBL3902823 0.89 EGFR (0.77) EGFRERBB2
SCHEMBL5922745 0.88 EGFR (0.76) EGFRERBB2
SCHEMBL6486502 0.86 EGFR (0.78) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL3898890 0.85 EGFR (1.00) EGFRERBB2
SCHEMBL3904678 0.83 EGFR (0.77) EGFRERBB2
SCHEMBL3971200 0.82 EGFR (0.76) EGFRERBB2
SCHEMBL2098912 0.80 EGFR (0.83) EGFRERBB2MEN1PIK3C2BMAP2K7
Lapatinib SCHEMBL29464189 0.80 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
Lapatinib SCHEMBL29351024 0.80 EGFR (1.00) EGFRERBB2MEN1PIK3C2BMAP2K7
SCHEMBL14264605 0.80 EGFR (0.90) EGFRERBB2MEN1PIK3C2BMAP2K7

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060205740-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-09-14 US claimed
EP-1654251-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-03-11 EP disclosed
US-20060205740-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2006-09-14 US disclosed
EP-1654251-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005016914-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-24 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-20060205740-A1 Chemical compounds ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885MEN1 2540/4885

“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.