SCHEMBL5419461

SCHEMBL5419461

CC(C)c1c(O[C@H]2CCC[C@@H](N)C2)ccc2[nH]ncc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 5/20 0.36
PIM1 P11309 1/20 0.36
ROCK1 Q13464 1/20 0.35
TLR9 Q9NR96 6/20 0.33
TLR8 Q9NR97 6/20 0.33
TLR7 Q9NYK1 6/20 0.33
CHEK1 O14757 1/20 0.33
KCNH2 Q12809 1/20 0.33
CDK2 P24941 1/20 0.32
FLT3 P36888 1/20 0.32
CCNA1 P78396 1/20 0.32
MAP4K1 Q92918 1/20 0.31
P4HB P07237 2/20 0.30
MCHR1 Q99705 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
SCHEMBL5411128 1.00 ULK1 (0.36) ULK1PIM1ROCK1TLR9TLR8
SCHEMBL5411129 1.00 ULK1 (0.36) ULK1PIM1ROCK1TLR9TLR8
SCHEMBL5419458 1.00 ULK1 (0.36) ULK1PIM1ROCK1TLR9TLR8
SCHEMBL5411125 1.00 ULK1 (0.36) ULK1PIM1ROCK1TLR9TLR8
SCHEMBL5409734 0.85 FEN1 (0.34) TLR9TLR8TLR7CDK2FLT3
SCHEMBL5425478 0.85 FEN1 (0.34) TLR9TLR8TLR7CDK2FLT3
SCHEMBL5409728 0.85 FEN1 (0.34) TLR9TLR8TLR7CDK2FLT3
SCHEMBL5409206 0.84 ULK1 (0.38) ULK1PIM1ROCK1CHEK1KCNH2
SCHEMBL5412699 0.84 ULK1 (0.38) ULK1PIM1ROCK1CHEK1KCNH2
SCHEMBL5409209 0.84 ULK1 (0.38) ULK1PIM1ROCK1CHEK1KCNH2

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 ULK1 1090/4885PIM1 760/4885ROCK1 1/4885

“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.