SCHEMBL535286

SCHEMBL535286

COc1cc2ncnc(Nc3cc(Cl)ccc3CNC(=O)CCCNC(=O)OC(C)(C)C)c2cc1[O]

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.51
HDAC3 O15379 18/20 0.51
HDAC4 P56524 18/20 0.51
HDAC1 Q13547 18/20 0.51
HDAC7 Q8WUI4 18/20 0.51
HDAC2 Q92769 18/20 0.51
HDAC10 Q969S8 18/20 0.51
HDAC11 Q96DB2 18/20 0.51
HDAC8 Q9BY41 18/20 0.51
HDAC6 Q9UBN7 18/20 0.51
HDAC9 Q9UKV0 18/20 0.51
HDAC5 Q9UQL6 18/20 0.51
SRC P12931 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
SCHEMBL6046901 0.84 ATM (0.37) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19569149 0.80 KDR (0.56) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3957994 0.78 KDR (0.59) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752890 0.78 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752888 0.78 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752892 0.78 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535218 0.77 KDR (0.53) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL1468261 0.76 KDR (0.68) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL19569150 0.75 KDR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13310090 0.75 KDR (0.49) KDRHDAC3HDAC4HDAC1HDAC7

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 KDR 2523/4885HDAC3 269/4885HDAC4 843/4885
US-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 KDR 1609/4885HDAC3 48/4885HDAC4 242/4885
US-20100105668-A1 Quinazoline derivatives NR1H2, NR1H3, NR3C2 KDR 2393/4885HDAC3 224/4885HDAC4 819/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 KDR 2189/4885HDAC3 193/4885HDAC4 903/4885

“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.