SCHEMBL5409728

SCHEMBL5409728

CC(C)c1c(O[C@H]2CC[C@H](N)CC2)ccc2[nH]ncc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.34
TLR9 Q9NR96 10/20 0.34
TLR8 Q9NR97 10/20 0.34
TLR7 Q9NYK1 10/20 0.34
AXL P30530 1/20 0.33
TYRO3 Q06418 1/20 0.33
MERTK Q12866 1/20 0.33
MAP4K1 Q92918 1/20 0.32
CDK2 P24941 2/20 0.32
FLT3 P36888 2/20 0.32
CCNA1 P78396 2/20 0.32
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
METAP2 P50579 1/20 0.31
AKT2 P31751 1/20 0.31
IDO1 P14902 1/20 0.31
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL5409734 1.00 FEN1 (0.34) FEN1TLR9TLR8TLR7AXL
SCHEMBL5425478 1.00 FEN1 (0.34) FEN1TLR9TLR8TLR7AXL
SCHEMBL5411128 0.85 ULK1 (0.36) TLR9TLR8TLR7MAP4K1CDK2
SCHEMBL5419458 0.85 ULK1 (0.36) TLR9TLR8TLR7MAP4K1CDK2
SCHEMBL5411129 0.85 ULK1 (0.36) TLR9TLR8TLR7MAP4K1CDK2
SCHEMBL5419461 0.85 ULK1 (0.36) TLR9TLR8TLR7MAP4K1CDK2
SCHEMBL5411125 0.85 ULK1 (0.36) TLR9TLR8TLR7MAP4K1CDK2
SCHEMBL5410905 0.83 AXL (0.43) FEN1AXLTYRO3MERTKMAP4K1
SCHEMBL5410900 0.83 AXL (0.43) FEN1AXLTYRO3MERTKMAP4K1
SCHEMBL5410993 0.83 AXL (0.43) FEN1AXLTYRO3MERTKMAP4K1

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA FEN1 2370/4885TLR9 3561/4885TLR8 4205/4885

“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.