SCHEMBL5421981

SCHEMBL5421981

CCc1c(OC2CCCNCC2)ccc2[nH]ncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.38
ROCK2 O75116 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
CDC42BPB Q9Y5S2 1/20 0.38
METAP2 P50579 1/20 0.35
HRH1 P35367 3/20 0.35
AXL P30530 1/20 0.35
TYRO3 Q06418 1/20 0.35
MERTK Q12866 1/20 0.35
PDE4B Q07343 1/20 0.34
TIPARP Q7Z3E1 2/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
KDM1A O60341 1/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
TLR9 Q9NR96 2/20 0.33
TLR8 Q9NR97 2/20 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
SCHEMBL5411098 0.95 HRH1 (0.38) ROCK1METAP2HRH1AXLTYRO3
SCHEMBL5407419 0.82 PDE4B (0.40) ROCK1ROCK2CDC42BPACDC42BPBMETAP2
SCHEMBL5407739 0.81 TIPARP (0.41) ROCK1ROCK2CDC42BPACDC42BPBHRH1
SCHEMBL5415144 0.81 TIPARP (0.40) ROCK1ROCK2CDC42BPACDC42BPBMETAP2
SCHEMBL5412245 0.81 AXL (0.38) ROCK1ROCK2AXLTYRO3MERTK
SCHEMBL5409004 0.81 AXL (0.38) ROCK1ROCK2AXLTYRO3MERTK
SCHEMBL5409008 0.81 AXL (0.38) ROCK1ROCK2AXLTYRO3MERTK
SCHEMBL5413033 0.81 KHK (0.39) ROCK1ROCK2CDC42BPACDC42BPBMETAP2
SCHEMBL5413106 0.81 AXL (0.42) ROCK1METAP2HRH1AXLTYRO3
Hydrochloric Acid SCHEMBL5421970 0.81 AXL (0.37) AXLTYRO3MERTKIDO1TDO2

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 ROCK1 1/4885ROCK2 2/4885CDC42BPA 24/4885

“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.