SCHEMBL535675

SCHEMBL535675

COc1cc2ncnc(Nc3cc(Br)ccc3C[CH]CCCCCl)c2cc1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.48
EGFR P00533 5/20 0.48
RET P07949 2/20 0.48
KIF5B P33176 2/20 0.48
HDAC3 O15379 14/20 0.46
HDAC4 P56524 14/20 0.46
HDAC1 Q13547 14/20 0.46
HDAC7 Q8WUI4 14/20 0.46
HDAC2 Q92769 14/20 0.46
HDAC10 Q969S8 14/20 0.46
HDAC11 Q96DB2 14/20 0.46
HDAC8 Q9BY41 14/20 0.46
HDAC6 Q9UBN7 14/20 0.46
HDAC9 Q9UKV0 14/20 0.46
HDAC5 Q9UQL6 14/20 0.46
KDM4E B2RXH2 1/20 0.45
GAK O14976 1/20 0.45
MAPK13 O15264 1/20 0.45
ABL1 P00519 1/20 0.45
ERBB2 P04626 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
SCHEMBL535716 0.93 KDR (0.48) KDREGFRRETKIF5BHDAC3
SCHEMBL535751 0.92 HDAC3 (0.48) KDREGFRRETKIF5BHDAC3
SCHEMBL535152 0.85 KDR (0.54) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL535300 0.82 KDR (0.47) KDREGFRRETKIF5BHDAC3
SCHEMBL535332 0.80 RET (0.48) KDREGFRRETKIF5BKDM4E
SCHEMBL3181837 0.79 EGFR (0.52) KDREGFRHDAC3HDAC4HDAC1
SCHEMBL5237480 0.77 KDR (0.82) KDREGFRRETKIF5BGAK
SCHEMBL3219481 0.77 SRC (0.52) EGFRGAKABL1ERBB2SRC
SCHEMBL13310095 0.76 HDAC3 (0.48) KDREGFRRETKIF5BHDAC3
SCHEMBL13310075 0.75 KDR (0.47) KDREGFRRETKIF5BHDAC3

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-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
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 (3 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 KDR 2523/4885EGFR 1731/4885RET 1204/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 KDR 2393/4885EGFR 1789/4885RET 1283/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 KDR 2189/4885EGFR 1503/4885RET 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.