SCHEMBL1616751

SCHEMBL1616751

CNC(=O)c1c(C)sc2cc(Oc3ccnc4ccc(OC)cc34)ccc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.52
KDR P35968 11/20 0.49
MET P08581 6/20 0.49
AURKA O14965 5/20 0.49
TEK Q02763 5/20 0.49
AURKB Q96GD4 3/20 0.49
LCK P06239 2/20 0.49
CSF1R P07333 3/20 0.45
PDGFRB P09619 3/20 0.45
PDGFRA P16234 3/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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 0.93 KDR (0.51) KDRMETAURKATEKAURKB
SCHEMBL1617951 0.90 KDR (0.45) DDR2KDRMETAURKATEK
SCHEMBL1618148 0.89 KDR (0.44) DDR2KDRMETAURKATEK
SCHEMBL1618396 0.87 KDR (0.44) DDR2KDRMETAURKATEK
SCHEMBL1616815 0.84 KDR (0.45) DDR2KDRMETAURKATEK
SCHEMBL1617323 0.83 KDR (0.52) DDR2KDRMETAURKATEK
SCHEMBL5241330 0.83 ALDH1A1 (0.51) LMNAKDM4EMAPK1NPSR1
SCHEMBL1618206 0.82 KDR (0.47) DDR2KDRMETAURKATEK
SCHEMBL1617838 0.82 KDR (0.45) KDRMETAURKATEKAURKB
SCHEMBL4953174 0.82 KDR (0.44) KDRMETAURKATEKAURKB

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 DDR2 3741/4885KDR 4516/4885MET 3942/4885

“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.