SCHEMBL3679445

SCHEMBL3679445

COc1cc2c(Nc3ccc4occcc3-4)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.65
KDR P35968 12/20 0.65
FLT4 P35916 7/20 0.65
FGFR1 P11362 3/20 0.65
FLT1 P17948 3/20 0.65
SRC P12931 4/20 0.63
AURKA O14965 8/20 0.60
TEK Q02763 8/20 0.60
AURKB Q96GD4 7/20 0.60
PDGFRB P09619 4/20 0.60
ERBB2 P04626 5/20 0.58
RET P07949 1/20 0.57
KIF5B P33176 1/20 0.57

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
SCHEMBL3673831 0.94 KDR (0.64) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3673786 0.93 KDR (0.63) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3675469 0.93 SRC (0.73) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3669672 0.92 KDR (0.59) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3679331 0.87 KDR (0.65) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3669683 0.85 EGFR (0.69) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3679436 0.83 KDR (0.88) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3679327 0.82 SRC (0.86) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3680124 0.81 KDR (0.64) EGFRKDRFLT4FGFR1FLT1
SCHEMBL3668100 0.80 KDR (0.71) EGFRKDRFLT4FGFR1FLT1

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-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US claimed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US claimed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP claimed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 WO claimed
EP-1562612-B1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE FOR USE IN THE TREATMENT OR PROPHLAXIX OF PANCREATIC CANCER ASTRAZENECA AB (SE) 2010-01-27 EP disclosed
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine ASTRAZENECA AB (SE) 2006-06-29 US disclosed
US-6939866-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2005-09-06 US disclosed
EP-1562612-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE Astrazeneca AB (SE) 2005-08-17 EP disclosed
WO-2004087120-A2 USE OF QUINAZOLINE DERIVATIVES WITH SRC KINASE INHIBITORY ACTIVITY FOR THE TREATMENT OF HYPERTENSION ASTRAZENECA AB (SE) 2004-10-14 WO disclosed
WO-2004043472-A1 COMBINATION PRODUCT OF INHIBITOR OF THE SRC FAMILY OF NON-RECEPTOR TYROSINE KINASES AND GEMCITABINE ASTRAZENECA AB (SE) 2004-05-27 WO disclosed
US-20040044015-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2004-03-04 US disclosed
EP-1326860-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2003-07-16 EP disclosed
WO-2002030926-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2002-04-18 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-20040044015-A1 Quinazoline derivatives NQO2, NRAS, TOP1 EGFR 1832/4885KDR 2216/4885FLT4 1148/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 EGFR 155/4885KDR 825/4885FLT4 568/4885

“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.