SCHEMBL1617839

SCHEMBL1617839

Cc1oc2cc(Oc3ccnc4cc(OCCN(C)C)ccc34)ccc2c1C(=O)NC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.51
AURKA O14965 8/20 0.51
MET P08581 8/20 0.51
TEK Q02763 8/20 0.51
LCK P06239 5/20 0.47
AURKB Q96GD4 5/20 0.47
LYN P07948 2/20 0.47
ABL1 P00519 2/20 0.47
FGR P09769 1/20 0.47
FLT1 P17948 3/20 0.42
FLT4 P35916 2/20 0.42
PDGFRB P09619 3/20 0.39
CSF1R P07333 2/20 0.39
FLT3 P36888 1/20 0.39
KIT P10721 2/20 0.38
PDGFRA P16234 2/20 0.38
XDH P47989 1/20 0.38
RIPK2 O43353 1/20 0.38
ERN1 O75460 1/20 0.38
STK10 O94804 1/20 0.38

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
SCHEMBL1617679 0.92 KDR (0.50) KDRAURKAMETTEKLCK
SCHEMBL1617484 0.92 KDR (0.53) KDRAURKAMETTEKLCK
SCHEMBL12716253 0.91 KDR (0.53) KDRAURKAMETTEKLCK
SCHEMBL1617622 0.91 KDR (0.53) KDRAURKAMETTEKLCK
SCHEMBL1618130 0.90 KDR (0.53) KDRAURKAMETTEKLCK
SCHEMBL1618363 0.90 KDR (0.53) KDRAURKAMETTEKLCK
SCHEMBL1617945 0.90 KDR (0.51) KDRAURKAMETTEKLCK
SCHEMBL1616819 0.89 KDR (0.54) KDRAURKAMETTEKLCK
SCHEMBL1618170 0.89 KDR (0.51) KDRAURKAMETTEKLCK
SCHEMBL1617660 0.88 KDR (0.51) KDRAURKAMETTEKLCK

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 16 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
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 4516/4885AURKA 2459/4885MET 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.