SCHEMBL5825906

SCHEMBL5825906

COc1cc2nccc(Oc3cc(C)c(NC(=O)OC(C)c4cccc(Br)c4)cc3C)c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.50
SRC P12931 4/20 0.48
TGFBR1 P36897 4/20 0.48
KDR P35968 8/20 0.46
PDGFRA P16234 6/20 0.46
GAK O14976 1/20 0.44
MET P08581 3/20 0.44
KIT P10721 1/20 0.43
AURKA O14965 1/20 0.43
LCK P06239 1/20 0.43
TEK Q02763 1/20 0.43
AURKB Q96GD4 1/20 0.43

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
SCHEMBL5824503 0.92 PDGFRA (0.51) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL5825589 0.91 KDR (0.51) SRCTGFBR1KDRPDGFRAMET
SCHEMBL5824961 0.91 KDR (0.51) SRCTGFBR1KDRPDGFRAMET
SCHEMBL5824445 0.90 SRC (0.46) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL5825157 0.89 KDR (0.48) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL5824902 0.88 EGFR (0.50) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL5825371 0.88 SRC (0.52) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL4481751 0.87 KDR (0.52) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL5824472 0.87 PDGFRA (0.44) EGFRSRCTGFBR1KDRPDGFRA
SCHEMBL5825241 0.87 PDGFRA (0.53) SRCTGFBR1KDRPDGFRAMET

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 EGFR 24/4885SRC 272/4885TGFBR1 196/4885
US-20040132727-A1 Quinoline and quinazoline derivatives and drugs containing the same PDGFRA, PDGFRB, PDGFA EGFR 20/4885SRC 195/4885TGFBR1 295/4885

“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.