Sugi Predict

Sugi Predict / Compounds / SCHEMBL1617606

SCHEMBL1617606

SCHEMBL1617606

CNC(=O)c1c(C)oc2cc(Oc3ccnc4cc(OCc5nccs5)ccc34)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 14/20 0.53
▸ FLT1 P17948 3/20 0.53
▸ FLT4 P35916 3/20 0.53
▸ MET P08581 7/20 0.42
▸ AURKA O14965 6/20 0.42
▸ TEK Q02763 6/20 0.42
▸ AURKB Q96GD4 5/20 0.42
▸ LCK P06239 3/20 0.42
▸ PDGFRB P09619 3/20 0.39
▸ CSF1R P07333 2/20 0.39
▸ ACHE P22303 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ FGFR1 P11362 2/20 0.37
▸ FGFR2 P21802 2/20 0.37
▸ PDXK O00764 1/20 0.37
▸ RIPK2 O43353 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ RET P07949 1/20 0.37

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
SCHEMBL12716014 0.85 KDR (0.50) KDRFLT1FLT4METAURKA
SCHEMBL14169193 0.85 KDR (0.55) KDRFLT1FLT4METAURKA
SCHEMBL1618106 0.84 KDR (0.56) KDRFLT1FLT4METAURKA
SCHEMBL1617845 0.84 KDR (0.54) KDRFLT1FLT4METAURKA
SCHEMBL1617641 0.84 KDR (0.65) KDRFLT1FLT4METAURKA
SCHEMBL1617123 0.84 KDR (0.59) KDRFLT1FLT4METAURKA
SCHEMBL1617644 0.83 KDR (0.55) KDRFLT1FLT4METAURKA
SCHEMBL1617584 0.83 KDR (0.54) KDRFLT1FLT4METAURKA
SCHEMBL5243247 0.82 KDR (0.58) KDRFLT1FLT4METAURKA
SCHEMBL1616819 0.82 KDR (0.54) KDRFLT1FLT4METAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 — — US claimed
JP-2007516273-A — — 2007-06-21 — — JP claimed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 — — EP claimed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 — — WO claimed
US-20050137395-A1 Novel quinoline derivatives AGOURON PHARMACEUTICALS, INC. 2005-06-23 — — US claimed
US-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 — — US disclosed
US-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 — — US disclosed
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 — — US disclosed
EP-1699780-A1 NOVEL QUINOLINE DERIVATIVES Pfizer, Inc. (US) 2006-09-13 — — EP disclosed
WO-2005063739-A1 NOVEL QUINOLINE DERIVATIVES PFIZER INC. (US) 2005-07-14 — — WO disclosed
US-20050137395-A1 Novel quinoline derivatives AGOURON PHARMACEUTICALS, INC. 2005-06-23 — — US 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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES COQ8B, COQ8A, MCM5 KDR 4516/4885FLT1 3392/4885FLT4 2635/4885

“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.