SCHEMBL535152

SCHEMBL535152

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

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.54
HDAC3 O15379 14/20 0.54
HDAC4 P56524 14/20 0.54
HDAC1 Q13547 14/20 0.54
HDAC7 Q8WUI4 14/20 0.54
HDAC2 Q92769 14/20 0.54
HDAC10 Q969S8 14/20 0.54
HDAC11 Q96DB2 14/20 0.54
HDAC8 Q9BY41 14/20 0.54
HDAC6 Q9UBN7 14/20 0.54
HDAC9 Q9UKV0 14/20 0.54
HDAC5 Q9UQL6 14/20 0.54
SRC P12931 1/20 0.49
FGFR1 P11362 2/20 0.48
FLT1 P17948 2/20 0.48
FLT4 P35916 2/20 0.48
EPHB2 P29323 1/20 0.48
EGFR P00533 4/20 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
SCHEMBL535751 0.91 HDAC3 (0.48) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3181837 0.88 EGFR (0.52) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535675 0.85 KDR (0.48) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535716 0.83 KDR (0.48) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535722 0.81 SRC (0.57) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13310060 0.78 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3962043 0.78 SRC (0.62) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13404545 0.78 EGFR (0.54) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL14765531 0.77 SRC (0.52) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752920 0.77 KDR (0.51) 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 8 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-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 (2 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-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.