SCHEMBL664198

SCHEMBL664198

COc1cc2c(Oc3ccc4cc(C)[nH]c4c3)ncnc2cc1OC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.48
BRAF P15056 2/20 0.47
EGFR P00533 4/20 0.46
LCK P06239 3/20 0.45
RET P07949 2/20 0.45
KIF5B P33176 1/20 0.45
MET P08581 3/20 0.45
TEK Q02763 3/20 0.45
AURKB Q96GD4 3/20 0.45
AURKA O14965 2/20 0.45
KIT P10721 3/20 0.44
PDGFRA P16234 2/20 0.43
KDM1A O60341 1/20 0.43
PLK4 O00444 1/20 0.42
GAK O14976 1/20 0.42
EPHB6 O15197 1/20 0.42
RIPK2 O43353 1/20 0.42
ERN1 O75460 1/20 0.42
STK10 O94804 1/20 0.42
MAP4K4 O95819 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
SCHEMBL664801 0.93 KDR (0.48) KDRBRAFEGFRLCKRET
SCHEMBL666478 0.89 RAF1 (0.52) KDREGFRLCKRETKIF5B
SCHEMBL665347 0.84 ERBB2 (0.45) KDRBRAFEGFRLCKRET
SCHEMBL10283934 0.82 KDR (0.45) KDRBRAFEGFRMETTEK
SCHEMBL666409 0.82 BRAF (0.55) KDRBRAFEGFRMETTEK
SCHEMBL12356849 0.82 EGFR (0.49) KDRBRAFEGFRLCKRET
SCHEMBL664923 0.82 KDR (0.63) KDREGFRLCKRETMET
SCHEMBL4384168 0.82 KDR (0.51) KDREGFRLCKRETMET
SCHEMBL665297 0.81 RAF1 (0.52) KDREGFRLCKRETMET
SCHEMBL4380414 0.80 KDR (0.49) KDREGFRLCKRETMET

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 KDR 2/4885BRAF 138/4885EGFR 273/4885
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, KDR, FLT1 KDR 2/4885BRAF 140/4885EGFR 344/4885

“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.