SCHEMBL6928152

SCHEMBL6928152

CC(C)c1coc2ncnc(N)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.47
FLT1 P17948 5/20 0.39
RET P07949 4/20 0.39
PLK4 O00444 3/20 0.39
ROCK2 O75116 3/20 0.39
MAP4K4 O95819 3/20 0.39
LCK P06239 3/20 0.39
LYN P07948 3/20 0.39
FLT4 P35916 3/20 0.39
FLT3 P36888 3/20 0.39
FRK P42685 3/20 0.39
CSNK1D P48730 3/20 0.39
BLK P51451 3/20 0.39
IRAK1 P51617 3/20 0.39
NEK2 P51955 3/20 0.39
LIMK1 P53667 3/20 0.39
CSNK1G2 P78368 3/20 0.39
MAP4K2 Q12851 3/20 0.39
STK3 Q13188 3/20 0.39
ROCK1 Q13464 3/20 0.39

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
SCHEMBL3126763 0.76 KDR (0.50) KDRFLT1RETPLK4ROCK2
SCHEMBL22659243 0.72 KDR (0.46) KDRFLT1RETPLK4ROCK2
SCHEMBL10120016 0.71 LIMK1 (0.37) KDRRETPLK4ROCK2MAP4K4
SCHEMBL6926826 0.70 NOS3 (0.33) KDRABL1SRCPI4KBPIK3CD
SCHEMBL6926808 0.69 NOS3 (0.36) KDM4EALDH1A1HPGDMAPK1HSD17B10
SCHEMBL6928039 0.68 MET (0.33) RETMET
SCHEMBL3120400 0.66 KDR (0.71) KDRFLT1RETPLK4ROCK2
SCHEMBL2976034 0.66 KDR (0.67) KDRFLT1RETPLK4ROCK2
SCHEMBL10198718 0.66 IRAK4 (0.48) RETMAP4K4IRAK1LIMK1MAP4K2
SCHEMBL6925166 0.65 P2RX3 (0.38) KDRRETCLK4CSNK1A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 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

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 3297/4885FLT1 1094/4885RET 2772/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KDR 3297/4885FLT1 1094/4885RET 2772/4885

“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.