SCHEMBL535751

SCHEMBL535751

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 17/20 0.48
HDAC4 P56524 17/20 0.48
HDAC1 Q13547 17/20 0.48
HDAC7 Q8WUI4 17/20 0.48
HDAC2 Q92769 17/20 0.48
HDAC10 Q969S8 17/20 0.48
HDAC11 Q96DB2 17/20 0.48
HDAC8 Q9BY41 17/20 0.48
HDAC6 Q9UBN7 17/20 0.48
HDAC9 Q9UKV0 17/20 0.48
HDAC5 Q9UQL6 17/20 0.48
KDR P35968 16/20 0.48
EGFR P00533 3/20 0.47
RET P07949 1/20 0.47
KIF5B P33176 1/20 0.47

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 0.92 KDR (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL535675 0.92 KDR (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL535152 0.91 KDR (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3181837 0.85 EGFR (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13310095 0.84 HDAC3 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3219481 0.84 SRC (0.52) EGFR
SCHEMBL535300 0.80 KDR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL535332 0.79 RET (0.48) KDREGFRRETKIF5B
SCHEMBL5237480 0.76 KDR (0.82) KDREGFRRETKIF5B
SCHEMBL13310075 0.76 KDR (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2

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
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

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 HDAC3 269/4885HDAC4 843/4885HDAC1 589/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 HDAC3 48/4885HDAC4 242/4885HDAC1 98/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 HDAC3 224/4885HDAC4 819/4885HDAC1 476/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 HDAC3 193/4885HDAC4 903/4885HDAC1 528/4885

“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.