SCHEMBL535218

SCHEMBL535218

[CH2]CCC(=O)NCc1ccc(Cl)cc1Nc1ncnc2cc(OC)c(O)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.53
HDAC3 O15379 11/20 0.53
HDAC4 P56524 11/20 0.53
HDAC1 Q13547 11/20 0.53
HDAC7 Q8WUI4 11/20 0.53
HDAC2 Q92769 11/20 0.53
HDAC10 Q969S8 11/20 0.53
HDAC11 Q96DB2 11/20 0.53
HDAC8 Q9BY41 11/20 0.53
HDAC6 Q9UBN7 11/20 0.53
HDAC9 Q9UKV0 11/20 0.53
HDAC5 Q9UQL6 11/20 0.53
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.49
RAF1 P04049 2/20 0.48
BRAF P15056 2/20 0.48
FGFR1 P11362 1/20 0.48
FLT1 P17948 1/20 0.48
EPHB2 P29323 1/20 0.48
FLT4 P35916 1/20 0.48

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
SCHEMBL6046891 0.86 EGFR (0.48) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535303 0.85 EGFR (0.59) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535118 0.85 EGFR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL13310045 0.81 KDR (0.51) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL535365 0.79 EGFR (0.50) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752924 0.79 KDR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752925 0.79 KDR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL20752912 0.79 KDR (0.49) KDRHDAC3HDAC4HDAC1HDAC7
SCHEMBL3958826 0.78 EGFR (0.62) KDREGFRSRCRAF1BRAF
SCHEMBL13404542 0.78 EGFR (0.56) 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
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 2523/4885HDAC3 269/4885HDAC4 843/4885
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.