SCHEMBL535258

SCHEMBL535258

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
KDR P35968 13/20 0.50
RET P07949 10/20 0.50
KIF5B P33176 9/20 0.50
FLT1 P17948 4/20 0.48
FGFR1 P11362 3/20 0.48
RIPK2 O43353 1/20 0.45
NOD1 Q9Y239 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR4 P22455 1/20 0.45
FGFR3 P22607 1/20 0.45
FLT4 P35916 1/20 0.45
RAF1 P04049 3/20 0.43
BRAF P15056 3/20 0.43
ABCB1 P08183 1/20 0.43
JAK3 P52333 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43

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
SCHEMBL535127 0.90 EGFR (0.66) EGFRKDRRETKIF5BFLT1
SCHEMBL535300 0.88 KDR (0.47) EGFRKDRRETKIF5BFLT1
SCHEMBL535332 0.87 RET (0.48) EGFRKDRRETKIF5BFLT1
SCHEMBL13310109 0.81 EGFR (0.53) EGFRKDRRETKIF5BFLT1
SCHEMBL535716 0.75 KDR (0.48) EGFRKDRRETKIF5BABCG2
SCHEMBL535885 0.74 EGFR (0.51) EGFRKDRRETKIF5BFLT1
SCHEMBL5241456 0.73 KDR (0.83) EGFRKDRRETKIF5BFLT1
SCHEMBL13310097 0.72 RET (0.47) EGFRKDRRETKIF5BABCB1
SCHEMBL5958960 0.71 KDR (0.80) EGFRKDRRETKIF5BFLT1
SCHEMBL8684 0.71 KDR (0.82) EGFRKDRRETKIF5BFLT1

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 2523/4885RET 1204/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 EGFR 684/4885KDR 1609/4885RET 626/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 EGFR 1789/4885KDR 2393/4885RET 1283/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885KDR 2189/4885RET 1047/4885

“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.