SCHEMBL5825508

SCHEMBL5825508

COc1cc2nccc(Oc3cc(C)c(NC(=O)OCCCOc4ccccc4F)cc3C)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.51
PDGFRA P16234 8/20 0.51
MET P08581 5/20 0.48
HDAC1 Q13547 1/20 0.48
AXL P30530 4/20 0.47
KIT P10721 1/20 0.47
FGFR2 P21802 1/20 0.47
FLT3 P36888 1/20 0.47
SRC P12931 1/20 0.47
TGFBR1 P36897 1/20 0.47
EGFR P00533 1/20 0.46

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
SCHEMBL5825585 0.96 KDR (0.51) KDRPDGFRAMETHDAC1AXL
SCHEMBL5825720 0.93 SRC (0.50) KDRPDGFRAMETHDAC1KIT
SCHEMBL5825373 0.90 SRC (0.47) KDRPDGFRAMETAXLKIT
SCHEMBL5825106 0.90 KDR (0.56) KDRPDGFRAMETAXLKIT
SCHEMBL5825983 0.88 MET (0.52) KDRPDGFRAMETHDAC1AXL
SCHEMBL5824982 0.87 PDGFRA (0.51) KDRPDGFRAMETAXLKIT
SCHEMBL5825503 0.87 KDR (0.60) KDRPDGFRAKITSRCTGFBR1
SCHEMBL5825440 0.86 MET (0.50) KDRPDGFRAMETKITSRC
SCHEMBL5825266 0.86 KDR (0.53) KDRPDGFRAMETKITFGFR2
SCHEMBL5825317 0.86 PDGFRA (0.51) KDRPDGFRAKITFLT3SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US disclosed
US-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-21 US disclosed
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same KIRIN HOLDINGS KABUSHIKI KAISHA (JP) 2004-07-08 US disclosed
EP-1243582-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-09-25 EP 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-20060211717-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KDR 4/4885PDGFRA 1/4885MET 84/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA KDR 5/4885PDGFRA 1/4885MET 40/4885

“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.