SCHEMBL5054161

SCHEMBL5054161

COc1cc2ncc(C#N)c(Oc3ccc([N+](=O)[O-])cc3F)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.56
ERBB2 P04626 8/20 0.56
SRC P12931 8/20 0.54
GAK O14976 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
MAP2K1 Q02750 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.42

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
SCHEMBL5054175 0.82 SRC (0.60) EGFRERBB2SRCGAKMAP2K1
Bromide SCHEMBL31554527 0.81 HSPB1 (0.42) EGFRERBB2PDGFRBPDGFRAABCG2
SCHEMBL31554431 0.80 S1PR4 (0.46) EGFRERBB2PDGFRBPDGFRAABCG2
SCHEMBL31554554 0.80 HSPB1 (0.42) EGFRERBB2PDGFRBPDGFRAABCG2
SCHEMBL31554417 0.78 MEN1 (0.46) PDGFRBPDGFRAABCG2
SCHEMBL18548554 0.78 TRPA1 (0.68) EGFRABCG2
SCHEMBL29487188 0.78 PDGFRA (0.59) SRCPDGFRBPDGFRA
SCHEMBL174159 0.78 PDGFRA (0.59) SRCPDGFRBPDGFRA
SCHEMBL31554441 0.76 PDGFRB (0.45) EGFRERBB2PDGFRBPDGFRA
SCHEMBL22009936 0.73 PDGFRA (0.56) SRCPDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008035209-A2 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2008-03-27 WO disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US disclosed
US-20080004273-A1 Inhibitors of protein tyrosine kinase activity METHYLGENE, INC. (CA) 2008-01-03 US 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-20080004273-A1 Inhibitors of protein tyrosine kinase activity HGF, ERBB2, MET EGFR 6/4885ERBB2 2/4885SRC 13/4885

“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.