SCHEMBL535885

SCHEMBL535885

COc1cc2ncnc(Nc3cc(Cl)ccc3CC[CH]CCCO)c2cc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.51
SRC P12931 1/20 0.50
RAF1 P04049 3/20 0.49
BRAF P15056 3/20 0.49
KDR P35968 14/20 0.48
FLT1 P17948 3/20 0.48
FGFR1 P11362 2/20 0.48
FLT4 P35916 2/20 0.48
EPHB2 P29323 1/20 0.48
RET P07949 7/20 0.48
KIF5B P33176 5/20 0.48
HDAC3 O15379 5/20 0.47
HDAC4 P56524 5/20 0.47
HDAC1 Q13547 5/20 0.47
HDAC7 Q8WUI4 5/20 0.47
HDAC2 Q92769 5/20 0.47
HDAC10 Q969S8 5/20 0.47
HDAC11 Q96DB2 5/20 0.47
HDAC8 Q9BY41 5/20 0.47
HDAC6 Q9UBN7 5/20 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
SCHEMBL535303 0.84 EGFR (0.59) EGFRSRCRAF1BRAFKDR
SCHEMBL535262 0.81 KDR (0.49) EGFRSRCRAF1BRAFKDR
SCHEMBL535365 0.80 EGFR (0.50) EGFRSRCRAF1BRAFKDR
SCHEMBL535332 0.80 RET (0.48) EGFRSRCKDRFLT1FGFR1
SCHEMBL535127 0.78 EGFR (0.66) EGFRRAF1BRAFKDRFLT1
SCHEMBL3958826 0.77 EGFR (0.62) EGFRSRCRAF1BRAFKDR
SCHEMBL13438440 0.76 EGFR (0.52) EGFRSRCRAF1BRAFKDR
SCHEMBL535118 0.75 EGFR (0.49) EGFRSRCRAF1BRAFKDR
SCHEMBL535218 0.75 KDR (0.53) EGFRSRCRAF1BRAFKDR
SCHEMBL13404542 0.75 EGFR (0.56) EGFRSRCRAF1BRAFKDR

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 7 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
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-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
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-20060247237-A1 Macrocyclic quinazoline derivatives as antiproliferative agents NR1H3, NR1H2, NCOA3 EGFR 684/4885SRC 1732/4885RAF1 2467/4885
US-20160207938-A1 QUINAZOLINE DERIVATIVES NR1H2, NR1H3, NR3C2 EGFR 1503/4885SRC 2917/4885RAF1 2956/4885

“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.