SCHEMBL1617838

SCHEMBL1617838

CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(C(F)(F)F)ccc34)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.45
ICAM1 P05362 2/20 0.45
SELE P16581 2/20 0.45
AURKA O14965 4/20 0.43
AURKB Q96GD4 4/20 0.43
BRAF P15056 3/20 0.43
MET P08581 3/20 0.43
TEK Q02763 3/20 0.43
MAPK14 Q16539 3/20 0.43
LCK P06239 3/20 0.43
TNNI3K Q59H18 2/20 0.43
RAF1 P04049 3/20 0.43
KCNH2 Q12809 1/20 0.43
PIK3CA P42336 1/20 0.42
AXL P30530 2/20 0.39
CSF1R P07333 1/20 0.39
PDGFRB P09619 1/20 0.39
PLK4 O00444 1/20 0.39
MAPK13 O15264 1/20 0.39
JAK2 O60674 1/20 0.39

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
SCHEMBL12715999 0.87 KDR (0.51) KDRAURKAAURKBMETTEK
SCHEMBL1616815 0.86 KDR (0.45) KDRICAM1SELEAURKAAURKB
SCHEMBL4953174 0.83 KDR (0.44) KDRICAM1SELEAURKAAURKB
SCHEMBL1618206 0.83 KDR (0.47) KDRAURKAAURKBMETTEK
SCHEMBL1616751 0.82 DDR2 (0.52) KDRAURKAAURKBMETTEK
SCHEMBL1617951 0.82 KDR (0.45) KDRAURKAAURKBMETTEK
SCHEMBL1617868 0.81 KDR (0.56) KDRAURKAAURKBBRAFMET
SCHEMBL1618148 0.81 KDR (0.44) KDRAURKAAURKBMETTEK
SCHEMBL12716004 0.81 KDR (0.43) KDRICAM1SELEAURKAAURKB
SCHEMBL12716008 0.81 KDR (0.41) KDRICAM1SELEAURKAAURKB

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 17 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-7923457-B2 Quinoline derivatives AGOURON PHARMACEUTICALS INC. (US) 2011-04-12 US disclosed
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-20090069316-A1 NOVEL QUINOLINE DERIVATIVES AGOURON PHARMACEUTICALS, INC. 2009-03-12 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
US-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 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 4516/4885ICAM1 4828/4885SELE 4704/4885

“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.