SCHEMBL5205515

SCHEMBL5205515

COc1cc2nccc(Oc3ccc(N)c([N+](=O)[O-])c3)c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 4/20 0.62
PDGFRB P09619 1/20 0.62
KDR P35968 5/20 0.60
FGFR2 P21802 3/20 0.53
EGFR P00533 1/20 0.53
AURKA O14965 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
LYN P07948 1/20 0.52
MET P08581 1/20 0.52
TEK Q02763 1/20 0.52
AURKB Q96GD4 1/20 0.52

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
SCHEMBL4361045 0.90 PDGFRA (0.66) PDGFRAPDGFRBKDRFGFR2EGFR
SCHEMBL14967568 0.87 PDGFRA (0.70) PDGFRAPDGFRBKDRFGFR2EGFR
SCHEMBL22505720 0.85 KDR (0.52) PDGFRAPDGFRBKDRFGFR2ABL1
SCHEMBL558651 0.84 PDGFRA (0.80) PDGFRAPDGFRBKDRFGFR2MET
SCHEMBL4365396 0.84 PDGFRB (0.76) PDGFRAPDGFRBKDRFGFR2EGFR
SCHEMBL25307750 0.84 PDGFRA (0.62) PDGFRAPDGFRBKDRFGFR2EGFR
SCHEMBL5054159 0.84 PDGFRA (0.62) PDGFRAPDGFRBKDRFGFR2
SCHEMBL31616944 0.84 PDGFRA (0.62) PDGFRAPDGFRBKDRFGFR2EGFR
SCHEMBL4362990 0.83 KDR (0.55) PDGFRAKDREGFRAURKALCK
SCHEMBL168048 0.83 PDGFRB (0.79) PDGFRAPDGFRBKDRFGFR2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same KIRIN BEER KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
EP-1384712-B1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BREWERY (JP) 2007-03-07 EP disclosed
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-02-01 US disclosed
US-7169789-B2 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2007-01-30 US disclosed
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-10-21 US disclosed
US-6797823-B1 Quinoline derivatives and quinazoline derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 2004-09-28 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1384712-A1 Derivatives of N-((quinolinyl)oxy)-phenyl)-urea and N-((quinazolinyl)oxy)-phenyl)-urea with antitumor activity KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-28 EP disclosed
EP-1153920-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BREWERY (JP) 2003-10-29 EP disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP disclosed
EP-1153920-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES KIRIN BEER KABUSHIKI KAISHA (JP) 2001-11-14 EP 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 (5 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA PDGFRA 1/4885PDGFRB 2/4885KDR 4/4885
US-20070027318-A1 Quinoline derivatives and quinazoline derivatives CYTH3, NQO2, NRAS PDGFRA 3108/4885PDGFRB 3304/4885KDR 2466/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA PDGFRA 1/4885PDGFRB 2/4885KDR 5/4885
US-20040209905-A1 Quinoline derivatives and quinazoline derivatives RABL3, NRAS, CYTH3 PDGFRA 3103/4885PDGFRB 3503/4885KDR 3106/4885
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same FLT3, TYRO3, ABL1 PDGFRA 229/4885PDGFRB 159/4885KDR 148/4885

“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.