SCHEMBL12716004

SCHEMBL12716004

CNC(=O)c1c(C)sc2cc(Oc3ccnc4cc(-c5ccccn5)ccc34)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.43
MET P08581 9/20 0.43
AURKA O14965 2/20 0.43
TEK Q02763 2/20 0.43
LCK P06239 1/20 0.43
AURKB Q96GD4 1/20 0.43
IGF1R P08069 3/20 0.42
AXL P30530 1/20 0.41
RET P07949 1/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
CYP3A4 P08684 1/20 0.40
PKMYT1 Q99640 1/20 0.40
PDGFRA P16234 2/20 0.38
KIT P10721 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 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
SCHEMBL1618206 0.90 KDR (0.47) KDRMETAURKATEKLCK
SCHEMBL4953174 0.86 KDR (0.44) KDRMETAURKATEKLCK
SCHEMBL1618265 0.85 SELE (0.43) KDRMETAURKATEKLCK
SCHEMBL12715999 0.84 KDR (0.51) KDRMETAURKATEKLCK
SCHEMBL12716008 0.84 KDR (0.41) KDRMETAURKATEKLCK
SCHEMBL1616815 0.83 KDR (0.45) KDRMETAURKATEKLCK
SCHEMBL1616657 0.82 KDR (0.54) KDRMETAURKATEKLCK
SCHEMBL1617838 0.81 KDR (0.45) KDRMETAURKATEKLCK
SCHEMBL1618396 0.80 KDR (0.44) KDRMETAURKATEKLCK
SCHEMBL1616751 0.80 DDR2 (0.52) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7381824-B2 Quinoline derivatives AGOURON PHARMACEUTICALS, INC. (US) 2008-06-03 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.