SCHEMBL1618009

SCHEMBL1618009

Cc1oc2cc(Oc3ccnc4cc(OC(F)(F)F)ccc34)ccc2c1C(=O)NC(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.47
MET P08581 9/20 0.47
AURKA O14965 7/20 0.47
TEK Q02763 7/20 0.47
LCK P06239 5/20 0.47
AURKB Q96GD4 4/20 0.47
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
PDGFRB P09619 2/20 0.39
CSF1R P07333 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
CYP3A4 P08684 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PDGFRA P16234 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
SCHEMBL12746104 0.92 KDR (0.43) KDRMETAURKATEKLCK
SCHEMBL1618092 0.89 KDR (0.54) KDRMETAURKATEKLCK
SCHEMBL12716104 0.88 KDR (0.43) KDRMETAURKATEKLCK
SCHEMBL1616942 0.87 KDR (0.49) KDRMETAURKATEKLCK
SCHEMBL1618151 0.87 KDR (0.53) KDRMETAURKATEKLCK
SCHEMBL1618303 0.85 KDR (0.44) KDRMETAURKATEKLCK
SCHEMBL1618227 0.81 KDR (0.54) KDRMETAURKATEKLCK
SCHEMBL1617616 0.80 KDR (0.48) KDRMETAURKATEKLCK
SCHEMBL1617868 0.80 KDR (0.56) KDRMETAURKATEKLCK
SCHEMBL1617641 0.79 KDR (0.65) KDRMETAURKATEKLCK

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 4516/4885MET 3942/4885AURKA 2459/4885

“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.