SCHEMBL3673766

SCHEMBL3673766

COc1cc2c(Nc3cccc4c(Cl)coc34)ncnc2cc1OCC(CN1CCCC1)OC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.62
EGFR P00533 9/20 0.48
ERBB2 P04626 3/20 0.47
AURKA O14965 1/20 0.47
SRC P12931 4/20 0.46
FGFR1 P11362 1/20 0.46
FLT1 P17948 1/20 0.46
EPHB4 P54760 3/20 0.45
EPHA2 P29317 2/20 0.45
CSK P41240 1/20 0.45
TEK Q02763 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
SCHEMBL3677434 0.99 KDR (0.61) KDREGFRERBB2AURKASRC
Hydrochloric Acid SCHEMBL6449945 0.94 KDR (0.69) KDREGFRSRC
SCHEMBL3745277 0.92 KDR (0.58) KDREGFRERBB2SRCEPHB4
SCHEMBL3674395 0.90 KDR (0.49) KDREGFRERBB2AURKASRC
SCHEMBL3675120 0.89 KDR (0.48) KDREGFRERBB2AURKASRC
SCHEMBL3669463 0.89 KDR (0.67) KDREGFRERBB2AURKASRC
SCHEMBL3671075 0.88 KDR (0.66) KDREGFRAURKASRCFGFR1
SCHEMBL3738451 0.86 KDR (0.62) KDREGFRERBB2AURKASRC
SCHEMBL3672100 0.85 KDR (0.61) KDREGFRERBB2AURKASRC
SCHEMBL3677227 0.85 KDR (0.55) KDREGFRERBB2

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 6 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
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-6849625-B2 Quinazoline derivatives with anti-tumour activity ASTRAZENECA AB (SE) 2005-02-01 US 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 KDR 2192/4885EGFR 2315/4885ERBB2 1833/4885
US-20060142297-A1 Combination product of inhibitor of the src family of non-recetpor tyrosine kinases and gemcitabine SRC, PTPN4, PTPN1 KDR 825/4885EGFR 155/4885ERBB2 23/4885

“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.