SCHEMBL5214519

SCHEMBL5214519

COc1cc2c(Cl)ncnc2cc1OCCC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 5/20 0.52
EPHA2 P29317 7/20 0.50
KDR P35968 6/20 0.50
EPHB4 P54760 5/20 0.50
EGFR P00533 2/20 0.48
FGFR1 P11362 2/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
SCN9A Q15858 1/20 0.48
ERBB2 P04626 2/20 0.48
NSD2 O96028 2/20 0.47
EHMT2 Q96KQ7 1/20 0.47
PIK3CD O00329 2/20 0.46
PIK3CA P42336 2/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 2/20 0.46
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL17179600 0.92 EPHA2 (0.52) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL664787 0.92 EPHA2 (0.52) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL3132645 0.89 EPHA2 (0.55) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL5437112 0.89 ENPP1 (0.56) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL6415927 0.86 ENPP1 (0.54) ENPP1EPHA2KDREPHB4EGFR
SCHEMBL29465790 0.86 PIK3CD (0.54) EPHA2KDREPHB4EGFRERBB2
SCHEMBL665187 0.86 PIK3CD (0.54) EPHA2KDREPHB4EGFRERBB2
SCHEMBL29465791 0.86 PIK3CD (0.54) EPHA2KDREPHB4EGFRERBB2
SCHEMBL2453138 0.86 PIK3CD (0.54) EPHA2KDREPHB4EGFRERBB2
SCHEMBL1401721 0.85 NSD2 (0.54) ENPP1EPHA2KDREPHB4EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027145-A1 Quinazoline derivatives as inhibitors of vegf receptor tyrosine kinases ASTRAZENCA (SE) 2007-02-01 US disclosed
EP-1453492-B1 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2007-01-24 EP disclosed
US-7157467-B2 Administering compound such as 6-methoxy-4-(2,3-methylenedioxyanilino)-7-(3-morpholinopropoxy)quinazoline for therapy of an autoimmune disease or medical condition selected from transplant rejection and rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-02 US disclosed
US-7115615-B2 Quinazoline derivatives ASTRAZENECA (SE) 2006-10-03 US disclosed
EP-1653965-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF VEGF RECEPTOR TYROSINE KINASES Astrazeneca AB (SE) 2006-05-10 EP disclosed
WO-2005013998-A1 QUINAZOLINE DERIVATIVES AS INHIBITORS OF VEGF RECEPTOR TYROSINE KINASES ASTRAZENECA AB (SE) 2005-02-17 WO disclosed
US-20050014773-A1 Therapeutic use ASTRAZENACA AB (SE) 2005-01-20 US disclosed
EP-1453492-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES Astrazeneca AB (SE) 2004-09-08 EP disclosed
WO-2003045364-A2 USE OF QUINAZOLINES TO TREAT T-CELL MEDIATED DISEASES ASTRAZENECA AB (SE) 2003-06-05 WO disclosed
EP-1313727-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-05-28 EP disclosed
WO-2002092578-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002092577-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-11-21 WO disclosed
WO-2002016352-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-02-28 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-20050014773-A1 Therapeutic use CD4, HLA-DRB1, CD74 ENPP1 2971/4885EPHA2 2874/4885KDR 2580/4885
US-20070027145-A1 Quinazoline derivatives as inhibitors of vegf receptor tyrosine kinases FLT4, FLT1, VEGFA ENPP1 2940/4885EPHA2 877/4885KDR 4/4885

“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.