SCHEMBL3679327

SCHEMBL3679327

COc1cc2c(Nc3cccc4ccoc34)ncnc2cc1OCCCN1CCN(C)CC1

nearest known ligand 0.86

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.86
KDR P35968 11/20 0.86
EGFR P00533 6/20 0.63
FLT4 P35916 4/20 0.63
FGFR1 P11362 2/20 0.63
FLT1 P17948 2/20 0.63
AURKA O14965 4/20 0.60
TEK Q02763 4/20 0.60
AURKB Q96GD4 3/20 0.60
ERBB2 P04626 2/20 0.60
PDGFRB P09619 2/20 0.60

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
SCHEMBL3680118 0.94 SRC (0.88) SRCKDREGFRFLT4FGFR1
SCHEMBL3677629 0.93 SRC (0.86) SRCKDREGFRFLT4FGFR1
SCHEMBL3674164 0.93 SRC (1.00) SRCKDREGFRFLT4FGFR1
SCHEMBL3668100 0.90 KDR (0.71) SRCKDREGFRFLT4FGFR1
SCHEMBL3679436 0.88 KDR (0.88) SRCKDREGFRFLT4FGFR1
SCHEMBL3742346 0.85 KDR (0.87) SRCKDREGFRFLT4FGFR1
SCHEMBL3680310 0.85 KDR (0.87) SRCKDREGFRFLT4FGFR1
SCHEMBL3671968 0.85 EGFR (0.69) SRCKDREGFRFLT4FGFR1
SCHEMBL3678100 0.85 KDR (0.71) SRCKDREGFRFLT4FGFR1
SCHEMBL3670246 0.85 KDR (0.70) SRCKDREGFRFLT4FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US claimed
US-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US claimed
WO-2002030924-A9 QUINAZOLINE DERIVATIVES WITH ANTI-TUMOUR ACTIVITY ASTRAZENECA AB (SE) 2003-05-22 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
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
US-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US 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-20040048881-A1 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2004-03-11 US 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-20040048881-A1 Quinazoline derivatives with anti-tumour activity TOP1, NQO2, ABCC1 SRC 2823/4885KDR 2192/4885EGFR 2315/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 SRC 1/4885KDR 825/4885EGFR 155/4885

“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.