SCHEMBL535332

SCHEMBL535332

COc1cc2ncnc(Nc3cc(Br)ccc3C[CH]CCCCO)c2cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 14/20 0.48
KDR P35968 12/20 0.48
KIF5B P33176 11/20 0.48
EGFR P00533 6/20 0.48
ABCG2 Q9UNQ0 2/20 0.45
ABCB1 P08183 1/20 0.45
JAK3 P52333 1/20 0.45
FGFR1 P11362 1/20 0.44
FLT1 P17948 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAK O14976 1/20 0.44
MAPK13 O15264 1/20 0.44
ABL1 P00519 1/20 0.44
ERBB2 P04626 1/20 0.44
CYP1A2 P05177 1/20 0.44
CDK1 P06493 1/20 0.44
CYP3A4 P08684 1/20 0.44
FBP1 P09467 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL535716 0.87 KDR (0.48) RETKDRKIF5BEGFRABCG2
SCHEMBL535258 0.87 EGFR (0.52) RETKDRKIF5BEGFRABCG2
SCHEMBL535127 0.83 EGFR (0.66) RETKDRKIF5BEGFRFGFR1
SCHEMBL3231489 0.82 SRC (0.53) EGFRGAKABL1ERBB2SRC
SCHEMBL13310097 0.82 RET (0.47) RETKDRKIF5BEGFRABCG2
SCHEMBL535675 0.80 KDR (0.48) RETKDRKIF5BEGFRABCG2
SCHEMBL535885 0.80 EGFR (0.51) RETKDRKIF5BEGFRFGFR1
SCHEMBL535751 0.79 HDAC3 (0.48) RETKDRKIF5BEGFR
SCHEMBL535300 0.75 KDR (0.47) RETKDRKIF5BEGFRFGFR1
SCHEMBL5241456 0.74 KDR (0.83) RETKDRKIF5BEGFRABCG2

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 RET 1204/4885KDR 2523/4885KIF5B 3103/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 RET 626/4885KDR 1609/4885KIF5B 2812/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 RET 1283/4885KDR 2393/4885KIF5B 3004/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 RET 1047/4885KDR 2189/4885KIF5B 3174/4885

“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.