SCHEMBL869245

SCHEMBL869245

Nc1ncnc2occ(-c3ccc4c(c3)CCN4)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.51
EIF2AK3 Q9NZJ5 1/20 0.45
FLT1 P17948 10/20 0.44
FLT4 P35916 4/20 0.44
PLK4 O00444 3/20 0.44
ROCK2 O75116 3/20 0.44
MAP4K4 O95819 3/20 0.44
LCK P06239 3/20 0.44
LYN P07948 3/20 0.44
RET P07949 3/20 0.44
FLT3 P36888 3/20 0.44
FRK P42685 3/20 0.44
CSNK1D P48730 3/20 0.44
BLK P51451 3/20 0.44
IRAK1 P51617 3/20 0.44
NEK2 P51955 3/20 0.44
LIMK1 P53667 3/20 0.44
CSNK1G2 P78368 3/20 0.44
MAP4K2 Q12851 3/20 0.44
STK3 Q13188 3/20 0.44

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
SCHEMBL868249 0.82 EIF2AK3 (0.46) KDREIF2AK3JAK2JAK3
Hydrochloric Acid SCHEMBL869114 0.81 EIF2AK3 (0.45) KDREIF2AK3JAK2JAK3
SCHEMBL868587 0.78 MAPK1 (0.39) KDREIF2AK3FLT1TEKJAK2
SCHEMBL868609 0.74 EIF2AK3 (0.52) EIF2AK3LCKRETNTRK3AURKB
Hydrochloric Acid SCHEMBL869345 0.74 EIF2AK3 (0.52) EIF2AK3LCKRETNTRK3AURKB
Hydrochloric Acid SCHEMBL868202 0.74 EIF2AK3 (0.52) EIF2AK3LCKRETNTRK3AURKB
SCHEMBL3120400 0.73 KDR (0.71) KDRFLT1FLT4PLK4ROCK2
SCHEMBL17749175 0.72 PIK3CD (0.57) KDRLCKRETFLT3RIPK1
SCHEMBL14014013 0.71 KDR (0.57) KDRFLT1FLT4PLK4ROCK2
SCHEMBL14013994 0.71 KDR (0.68) KDRFLT1FLT4PLK4ROCK2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO 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 (2 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885EIF2AK3 16/4885FLT1 1094/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885EIF2AK3 16/4885FLT1 1094/4885

“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.