SCHEMBL665187

SCHEMBL665187

COc1cc2c(Cl)ncnc2cc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.54
PIK3CA P42336 2/20 0.54
PIK3CB P42338 2/20 0.54
PIK3CG P48736 2/20 0.54
PDE4B Q07343 3/20 0.54
PDE4A P27815 2/20 0.54
PDE4C Q08493 2/20 0.54
PDE4D Q08499 2/20 0.54
EGFR P00533 12/20 0.51
ERBB2 P04626 6/20 0.51
BRAF P15056 1/20 0.49
EPHB4 P54760 2/20 0.49
RIPK2 O43353 1/20 0.49
RET P07949 1/20 0.49
MET P08581 1/20 0.49
EPHB2 P29323 1/20 0.49
TEC P42680 1/20 0.49
EPHA4 P54764 1/20 0.49
BTK Q06187 1/20 0.49
KCNH2 Q12809 1/20 0.49

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
SCHEMBL29465790 1.00 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29465791 1.00 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL2453138 1.00 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL28983490 0.95 PIK3CD (0.48) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29834734 0.94 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL29834791 0.94 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL24714039 0.90 ENPP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL30822064 0.90 ENPP1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGPDE4B
SCHEMBL22598590 0.90 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL29465805 0.90 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGEGFR

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 17 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-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS HENNEQUIN LAURENT FRANCOIS AND 2009-12-17 US disclosed
US-7569577-B2 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2009-08-04 US disclosed
EP-1667991-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2008-05-14 EP 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
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ASTRAZENECA AB (SE) 2007-02-22 US disclosed
EP-1667991-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2006-06-14 EP disclosed
EP-1658280-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2006-05-24 EP disclosed
WO-2005026150-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2005-03-24 WO 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 (4 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 PIK3CD 1389/4885PIK3CA 805/4885PIK3CB 1988/4885
US-20090312343-A1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS ERBB2, ABL1, EGFR PIK3CD 300/4885PIK3CA 202/4885PIK3CB 301/4885
US-20120046300-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, KDR, FLT1 PIK3CD 1554/4885PIK3CA 1005/4885PIK3CB 2164/4885
US-20070043009-A1 Quinazoline derivatives as tyrosine kinase inhibitors ERBB2, ABL1, EGFR PIK3CD 284/4885PIK3CA 186/4885PIK3CB 309/4885

“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.