SCHEMBL5404079

SCHEMBL5404079

Cc1c(OC2CCCN(CCO)CC2)ccc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
TYRO3 Q06418 1/20 0.41
MERTK Q12866 1/20 0.41
ROCK2 O75116 11/20 0.36
ROCK1 Q13464 4/20 0.36
CCR2 P41597 2/20 0.36
PARP1 P09874 1/20 0.36
KIT P10721 1/20 0.35
HRH1 P35367 2/20 0.35
CCR3 P51677 2/20 0.35
KCNH2 Q12809 2/20 0.35
JAK2 O60674 1/20 0.34
SYK P43405 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
HTR7 P34969 1/20 0.33

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
SCHEMBL5401813 0.96 AXL (0.43) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5423953 0.92 ROCK2 (0.42) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5413363 0.88 AXL (0.42) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5413298 0.85 AXL (0.45) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5414878 0.83 AXL (0.45) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5415149 0.82 ROCK2 (0.48) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5408718 0.81 AXL (0.44) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5416983 0.81 ROCK2 (0.44) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5408010 0.80 AXL (0.40) AXLTYRO3MERTKROCK2ROCK1
SCHEMBL5402169 0.80 CYP4A11 (0.44) AXLTYRO3MERTKJAK2TLR7

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 AXL 1805/4885TYRO3 961/4885MERTK 2198/4885

“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.