SCHEMBL535127

SCHEMBL535127

COc1cc2ncnc(Nc3cc(Cl)c(F)cc3C[CH]CCCCO)c2cc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.66
KDR P35968 15/20 0.51
FGFR1 P11362 3/20 0.51
FLT1 P17948 3/20 0.51
FLT4 P35916 3/20 0.51
FGFR2 P21802 1/20 0.51
FGFR4 P22455 1/20 0.51
FGFR3 P22607 1/20 0.51
RET P07949 11/20 0.50
KIF5B P33176 10/20 0.50
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
AURKA O14965 1/20 0.45
ERBB2 P04626 1/20 0.45
INSR P06213 1/20 0.45
FBP1 P09467 1/20 0.45
PDGFRB P09619 1/20 0.45
CLK1 P49759 1/20 0.45
EPHB4 P54760 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
SCHEMBL535258 0.90 EGFR (0.52) EGFRKDRFGFR1FLT1FLT4
SCHEMBL535332 0.83 RET (0.48) EGFRKDRFGFR1FLT1RET
SCHEMBL3181837 0.80 EGFR (0.52) EGFRKDRFGFR1FLT1FLT4
SCHEMBL535300 0.78 KDR (0.47) EGFRKDRFGFR1FLT1RET
SCHEMBL6046861 0.78 EGFR (0.82) EGFRKDRFGFR1FLT1FLT4
SCHEMBL535885 0.78 EGFR (0.51) EGFRKDRFGFR1FLT1FLT4
SCHEMBL13310055 0.75 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL16016556 0.75 EGFR (0.64) EGFRKDRFGFR1FLT1FLT4
SCHEMBL14515606 0.72 KDR (0.72) EGFRKDRFLT1FLT4RET
SCHEMBL8383 0.72 EGFR (0.83) EGFRKDRFLT4RETKIF5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160207938-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-07-21 US disclosed
US-9273013-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2016-03-01 US disclosed
US-20130178624-A1 QUINAZOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2013-07-11 US disclosed
US-8394786-B2 Quinazoline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2013-03-12 US disclosed
EP-1633365-B1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA NV (BE) 2012-02-08 EP disclosed
EP-2305687-A1 Quinazoline derivatives Janssen Pharmaceutica NV (BE) 2011-04-06 EP disclosed
US-20100105668-A1 Quinazoline derivatives FREYNE EDDY JEAN EDGARD 2010-04-29 US disclosed
US-7648975-B2 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2010-01-19 US disclosed
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-02 US disclosed
EP-1633365-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-03-15 EP disclosed
WO-2004105765-A1 MACROCYCLIC QUINAZOLINE DERIVATIVES AS ANTIPROLIFERATIVE AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 2004-12-09 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-20130178624-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1731/4885KDR 2523/4885FGFR1 1888/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 EGFR 684/4885KDR 1609/4885FGFR1 1030/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 EGFR 1789/4885KDR 2393/4885FGFR1 1874/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885KDR 2189/4885FGFR1 1828/4885

“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.