SCHEMBL665930

SCHEMBL665930

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRAF P15056 8/20 0.55
PIK3CD O00329 3/20 0.51
PIK3CA P42336 2/20 0.51
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
GPR119 Q8TDV5 3/20 0.46
RAF1 P04049 2/20 0.45
AURKA O14965 2/20 0.45
MET P08581 2/20 0.45
KDR P35968 2/20 0.45
TEK Q02763 2/20 0.45
AURKB Q96GD4 2/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ERBB2 P04626 2/20 0.43
EGFR P00533 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
SCHEMBL666409 0.94 BRAF (0.55) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4374447 0.91 BRAF (0.48) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4380906 0.91 RAF1 (0.48) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4380695 0.90 BRAF (0.47) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL662774 0.87 KDR (0.57) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL666851 0.86 KDR (0.52) BRAFRAF1METKDRTEK
SCHEMBL12356849 0.86 EGFR (0.49) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL664517 0.85 KDR (0.46) BRAFAURKAMETKDRTEK
SCHEMBL4758478 0.84 PDE4B (0.44) BRAFPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10283934 0.84 KDR (0.45) BRAFRAF1AURKAMETKDR

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-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-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 BRAF 138/4885PIK3CD 1389/4885PIK3CA 805/4885
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, KDR, FLT1 BRAF 140/4885PIK3CD 1554/4885PIK3CA 1005/4885

“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.