SCHEMBL5412282

SCHEMBL5412282

Cc1c(OC2CCCNC2)ccc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.44
CHRNA4 P43681 2/20 0.44
ROCK1 Q13464 7/20 0.44
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
ROCK2 O75116 3/20 0.39
CDC42BPB Q9Y5S2 2/20 0.39
CDC42BPA Q5VT25 1/20 0.39
CD274 Q9NZQ7 1/20 0.38
SGK1 O00141 1/20 0.38
ALOX5AP P20292 3/20 0.38
FEN1 P39748 3/20 0.38
KCNH2 Q12809 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL5414955 0.96 ROCK1 (0.41) CHRNB2CHRNA4ROCK1IKBKBCHUK
SCHEMBL5408146 0.85 CHRNB2 (0.47) CHRNB2CHRNA4ROCK1IKBKBCHUK
Hydrochloric Acid SCHEMBL5404537 0.84 CHRNB2 (0.41) CHRNB2CHRNA4ROCK1IKBKBCHUK
SCHEMBL5413106 0.84 AXL (0.42) ROCK1IKBKBCHUKKCNH2AXL
SCHEMBL5415511 0.82 CHRNB2 (0.49) CHRNB2CHRNA4ROCK1IKBKBCHUK
SCHEMBL5413293 0.81 PDE4B (0.42) CHRNB2CHRNA4ROCK1IKBKBCHUK
SCHEMBL5409209 0.79 ULK1 (0.38) ROCK1KCNH2PIM1PIM3PIM2
SCHEMBL5409206 0.79 ULK1 (0.38) ROCK1KCNH2PIM1PIM3PIM2
SCHEMBL5412699 0.79 ULK1 (0.38) ROCK1KCNH2PIM1PIM3PIM2
SCHEMBL5412693 0.79 ULK1 (0.38) ROCK1KCNH2PIM1PIM3PIM2

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 CHRNB2 2766/4885CHRNA4 3462/4885ROCK1 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.