SCHEMBL665253

SCHEMBL665253

COc1cc2c(Oc3ccc4[nH]cc(C)c4c3)ncnc2cc1OCC1CCN(C(=O)CCl)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.46
EGFR P00533 8/20 0.44
KDR P35968 8/20 0.44
MET P08581 2/20 0.44
PDGFRA P16234 1/20 0.44
AURKA O14965 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43
FLT1 P17948 4/20 0.43
FLT4 P35916 4/20 0.43
SRC P12931 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
SCHEMBL666174 0.91 AURKA (0.48) RAF1EGFRKDRMETPDGFRA
SCHEMBL666523 0.88 RAF1 (0.48) RAF1EGFRKDRMETPDGFRA
SCHEMBL666747 0.87 RAF1 (0.46) RAF1EGFRKDRMETPDGFRA
SCHEMBL665336 0.87 KDR (0.48) RAF1EGFRKDRMETPDGFRA
SCHEMBL664666 0.85 KDR (0.46) RAF1EGFRKDRMETPDGFRA
SCHEMBL664554 0.84 RAF1 (0.52) RAF1EGFRKDRPDGFRAFLT1
SCHEMBL4379519 0.84 EGFR (0.46) RAF1EGFRKDRMETSRC
SCHEMBL666132 0.81 KDR (0.51) EGFRKDRMETPDGFRATEK
SCHEMBL4376836 0.80 KDR (0.47) EGFRKDRMETPDGFRAAURKA
SCHEMBL4376829 0.80 KDR (0.47) EGFRKDRMETPDGFRAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors HENNEQUIN LAURENT FRANCOIS ANDRE (FR) 2012-02-23 US disclosed
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors HENNEQUIN LAURENT FRANCOIS ANDRE (FR) 2012-02-23 US disclosed
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors HENNEQUIN LAURENT FRANCOIS ANDRE (FR) 2012-02-23 US disclosed
US-7989460-B2 potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-7989460-B2 potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-7989460-B2 potent kinase insert domain-containing receptor (KDR) inhibitors with improved selectivity and pharmacokinetics; VEGF (vascular endothelial growth factor) inhibitors; cancer and rheumatoid arthritis; e.g. 7-(2-[4-(acetylmethyl)piperazin-1-yl]ethoxy)-6-methoxy-4-[(2-methyl-1H-indol-5-yl)oxy]quinazoline ASTRAZENECA AB (SE) 2011-08-02 US disclosed
US-20080058342-A1 Quinazoline Derivatives As Angiogenesis Inhibitors ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080058342-A1 Quinazoline Derivatives As Angiogenesis Inhibitors ASTRAZENECA AB (SE) 2008-03-06 US disclosed
US-20080058342-A1 Quinazoline Derivatives As Angiogenesis Inhibitors ASTRAZENECA AB (SE) 2008-03-06 US disclosed
EP-1658280-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2006-05-24 EP disclosed
WO-2005014582-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-02-17 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 (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-20080058342-A1 Quinazoline Derivatives As Angiogenesis Inhibitors VEGFA, KDR, FLT1 RAF1 52/4885EGFR 273/4885KDR 2/4885
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, KDR, FLT1 RAF1 61/4885EGFR 344/4885KDR 2/4885

“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.