SCHEMBL1618396

SCHEMBL1618396

CNC(=O)c1c(C)sc2cc(Oc3ccnc4ccc(-c5ccncc5)cc34)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.44
MET P08581 6/20 0.42
AURKB Q96GD4 3/20 0.42
AURKA O14965 2/20 0.42
LCK P06239 2/20 0.42
TEK Q02763 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
AXL P30530 5/20 0.39
MERTK Q12866 1/20 0.39
SELE P16581 3/20 0.39
ICAM1 P05362 2/20 0.39
VCAM1 P19320 2/20 0.39
DDR2 Q16832 2/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
PDXK O00764 1/20 0.36
RIPK2 O43353 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36

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
SCHEMBL4953174 0.94 KDR (0.44) KDRMETAURKBAURKALCK
SCHEMBL1616751 0.87 DDR2 (0.52) KDRMETAURKBAURKALCK
SCHEMBL1617951 0.87 KDR (0.45) KDRMETAURKBAURKALCK
SCHEMBL1618148 0.86 KDR (0.44) KDRMETAURKBAURKALCK
SCHEMBL1618265 0.83 SELE (0.43) KDRMETAURKBAURKALCK
SCHEMBL1618206 0.83 KDR (0.47) KDRMETAURKBAURKALCK
SCHEMBL12715999 0.82 KDR (0.51) KDRMETAURKBAURKALCK
SCHEMBL1618210 0.82 KDR (0.53) KDRMETAURKBAURKALCK
SCHEMBL1616815 0.81 KDR (0.45) KDRMETAURKBAURKALCK
SCHEMBL12716008 0.80 KDR (0.41) KDRMETAURKBAURKALCK

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 12 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
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
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 3942/4885AURKB 1436/4885

“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.