SCHEMBL1098029

SCHEMBL1098029

COc1cc2c(Oc3ccc(CC(=O)O)cc3F)ncnc2cc1OCCOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.46
MET P08581 7/20 0.45
EGFR P00533 3/20 0.43
KDR P35968 7/20 0.43
FLT3 P36888 3/20 0.42
PDGFRA P16234 3/20 0.41
PDGFRB P09619 2/20 0.41
RAF1 P04049 2/20 0.41
BRAF P15056 2/20 0.41
FLT1 P17948 2/20 0.41
FLT4 P35916 2/20 0.41
KIT P10721 2/20 0.41
PLK4 O00444 1/20 0.40
GAK O14976 1/20 0.40
EPHB6 O15197 1/20 0.40
RIPK2 O43353 1/20 0.40
ERN1 O75460 1/20 0.40
STK10 O94804 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL1099027 0.90 PDGFRA (0.50) KDRFLT3PDGFRAPDGFRBRAF1
SCHEMBL1099234 0.83 TRPA1 (0.65) TRPA1METEGFRKDRFLT3
SCHEMBL1099144 0.82 TRPA1 (0.57) TRPA1METEGFRKDRFLT3
SCHEMBL1099574 0.81 KDM1A (0.53) TRPA1METEGFRKDRFLT3
SCHEMBL1098608 0.80 PDGFRB (0.41) METEGFRKDRFLT3PDGFRB
SCHEMBL5177474 0.80 TRPA1 (0.43) TRPA1METEGFRKDRFLT3
SCHEMBL4517992 0.79 FLT4 (0.54) KDRFLT3PDGFRAPDGFRBRAF1
SCHEMBL4523620 0.75 FLT4 (0.54) KDRFLT3PDGFRAPDGFRBRAF1
SCHEMBL1098795 0.75 ENPP1 (0.58) KDRERBB2EPHB4
SCHEMBL4524921 0.74 FLT4 (0.52) KDRFLT3PDGFRAPDGFRBRAF1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120165351-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-06-28 US disclosed
US-8153643-B2 Quinazoline derivatives ASTRAZENECA AB (SE) 2012-04-10 US disclosed
EP-1802591-B1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2012-01-11 EP disclosed
US-20090233924-A1 Quinazoline derivatives ASTRAZENECA AB (SE) 2009-09-17 US disclosed
EP-1802591-A1 QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2006040520-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2006-04-20 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-20090233924-A1 Quinazoline derivatives AQP1, PGF, F12 TRPA1 3713/4885MET 1950/4885EGFR 1629/4885
US-20120165351-A1 QUINAZOLINE DERIVATIVES AQP1, F12, AQP3 TRPA1 3413/4885MET 2258/4885EGFR 1920/4885

“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.