SCHEMBL4486934

SCHEMBL4486934

COc1cc2nccc(Oc3ccccc3[N+](=O)[O-])c2cc1OC

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 3/20 0.61
KDR P35968 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.59
SRC P12931 1/20 0.58
TGFBR1 P36897 1/20 0.58
ALDH1A1 P00352 2/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PDGFRB P09619 1/20 0.53
ACHE P22303 1/20 0.53
BACE1 P56817 1/20 0.53
FGFR2 P21802 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
SCHEMBL29079739 0.88 PDGFRA (0.56) PDGFRAKDRSRCTGFBR1ABCG2
SCHEMBL30574470 0.88 PDGFRA (0.56) PDGFRAKDRSRCTGFBR1ABCG2
SCHEMBL3899782 0.85 SRC (0.63) PDGFRAKDRSRCTGFBR1ALDH1A1
SCHEMBL14967568 0.84 PDGFRA (0.70) PDGFRAKDRPDGFRBFGFR2
SCHEMBL1591706 0.83 POLB (0.58) L3MBTL1ALDH1A1TDP1
SCHEMBL7487419 0.82 PDGFRB (0.70) PDGFRASRCTGFBR1PDGFRBFGFR2
SCHEMBL2335546 0.82 KDR (0.49) PDGFRAKDRSRCTGFBR1ABCG2
SCHEMBL4361045 0.81 PDGFRA (0.66) PDGFRAKDRPDGFRBFGFR2
SCHEMBL7463007 0.81 HPGD (0.54) PDGFRAKDRL3MBTL1ALDH1A1
SCHEMBL1896370 0.80 PDGFRA (0.61) PDGFRAKDRPDGFRBFGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7495104-B2 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2009-02-24 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-1566379-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF Flt3 AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2005-08-24 EP disclosed
US-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors KIRIN BEER KABUSHIKI KAISHA (JP) 2005-03-03 US disclosed
EP-1447405-A1 QUINOLINE OR QUINAZOLINE DERIVATIVES INHIBITING AUTO-PHOSPHORYLATION OF FIBROBLAST GROWTH FACTOR RECEPTORS KIRIN BEER KABUSHIKI KAISHA (JP) 2004-08-18 EP disclosed
EP-0860433-B1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BREWERY (JP) 2002-07-03 EP disclosed
US-6143764-A ETHER DERIVATIVES OF QUINOLINE, ANTITUMOR AGENTS KIRIN BEER KABUSHIKI KAISHA (JP) 2000-11-07 US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 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 (2 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-20050049264-A1 Quinoline or quinazoline derivatives inhibiting auto-phosphorylation of fibroblast growth factor receptors FGFR1, FGFR2, FGFR3 PDGFRA 372/4885KDR 211/4885L3MBTL1 3631/4885
US-20080207617-A1 Quinoline Derivatives and Quinazoline Derivatives Inhibiting Autophosphrylation of Flt3 and Medicinal Compositions Containing the Same FLT3, TYRO3, ABL1 PDGFRA 229/4885KDR 148/4885L3MBTL1 589/4885

“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.