SCHEMBL4380783

SCHEMBL4380783

COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OC[C@H](O)CNC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
CYP2D6 P10635 3/20 0.46
KDR P35968 11/20 0.45
MET P08581 3/20 0.45
TEK Q02763 3/20 0.45
AURKB Q96GD4 3/20 0.45
EGFR P00533 2/20 0.45
RET P07949 2/20 0.45
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
PLK4 O00444 1/20 0.45
GAK O14976 1/20 0.45
EPHB6 O15197 1/20 0.45
RIPK2 O43353 1/20 0.45

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
SCHEMBL4382153 1.00 ABCB11 (0.48) ABCB11HTR1AADRA2APTGS1SLC6A2
SCHEMBL4380776 1.00 ABCB11 (0.48) ABCB11HTR1AADRA2APTGS1SLC6A2
SCHEMBL4380948 0.88 PDGFRB (0.46) HTR1ADRD3CYP2D6KDRMET
SCHEMBL4380958 0.88 PDGFRB (0.46) HTR1ADRD3CYP2D6KDRMET
SCHEMBL4382578 0.88 PDGFRB (0.46) HTR1ADRD3CYP2D6KDRMET
SCHEMBL4371119 0.85 KDR (0.54) ABCB11KDRMETTEKAURKB
SCHEMBL4386304 0.85 KDR (0.54) ABCB11KDRMETTEKAURKB
SCHEMBL4371127 0.85 KDR (0.54) ABCB11KDRMETTEKAURKB
SCHEMBL4377818 0.85 KDR (0.46) CYP2D6KDREGFRRETFLT1
SCHEMBL4377809 0.85 KDR (0.46) CYP2D6KDREGFRRETFLT1

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-8492560-B2 Quinazoline derivatives as angiogenesis inhibitors ASTRAZENECA AB (SE) 2013-07-23 US disclosed
US-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors STOKES ELAINE S E (GB) 2012-08-02 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
EP-1553097-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE AstraZeneca AB (SE) 2005-07-13 EP disclosed
EP-1154774-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
EP-1154774-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AstraZeneca AB (SE) 2001-11-21 EP disclosed
WO-2000047212-A1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS ASTRAZENECA AB (SE) 2000-08-17 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 (1 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-20120197027-A1 Quinazoline Derivatives as Angiogenesis Inhibitors VEGFA, FLT1, KDR ABCB11 138/4885HTR1A 3878/4885ADRA2A 2702/4885

“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.