SCHEMBL5409206

SCHEMBL5409206

Cc1c(O[C@@H]2CCC[C@H](N)C2)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 5/20 0.38
ROCK1 Q13464 1/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
PIM1 P11309 2/20 0.35
CHEK1 O14757 1/20 0.35
KCNH2 Q12809 1/20 0.35
PIM3 Q86V86 1/20 0.32
PIM2 Q9P1W9 1/20 0.32
MAP4K1 Q92918 2/20 0.32
MCHR1 Q99705 1/20 0.32
FURIN P09958 1/20 0.32
MET P08581 1/20 0.30
AKT2 P31751 1/20 0.30
CDK2 P24941 1/20 0.30
FLT3 P36888 1/20 0.30
CCNA1 P78396 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL5412699 1.00 ULK1 (0.38) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5409209 1.00 ULK1 (0.38) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5409214 1.00 ULK1 (0.38) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5412693 1.00 ULK1 (0.38) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5412703 0.87 ULK1 (0.36) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5401891 0.87 ULK1 (0.36) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5412698 0.87 ULK1 (0.36) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5401899 0.87 ULK1 (0.36) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5401894 0.87 ULK1 (0.36) ULK1ROCK1AXLTYRO3MERTK
SCHEMBL5404655 0.85 BRD4 (0.38) ULK1ROCK1PIM1CHEK1KCNH2

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 1090/4885ROCK1 1/4885AXL 1805/4885

“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.