SCHEMBL5412948

SCHEMBL5412948

Cn1ncc2cc(NC3CCN(Cc4ccccc4)CC3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.62
ROCK1 Q13464 8/20 0.62
CCR2 P41597 4/20 0.62
DRD4 P21917 3/20 0.49
SIGMAR1 Q99720 3/20 0.49
GRIN2B Q13224 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49
ACHE P22303 1/20 0.49
DRD3 P35462 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
ITK Q08881 1/20 0.47
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
KAT2B Q92831 1/20 0.46

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
Hydrochloric Acid SCHEMBL5413188 0.99 ROCK2 (0.61) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL5413248 0.90 CA12 (0.53) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL13106874 0.85 KDM4E (0.51) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL14514348 0.84 ROCK2 (0.57) ROCK2ROCK1CCR2DRD4SIGMAR1
SCHEMBL13106873 0.79 FAAH (0.56) ROCK2ROCK1ACHEKDM4E
SCHEMBL13106898 0.79 NPC1 (0.45) ROCK2ROCK1GRIN2BITK
SCHEMBL13106905 0.78 NPC1 (0.53) ROCK2ACHE
SCHEMBL13106880 0.78 HRH3 (0.44) ROCK2DRD4SIGMAR1TMEM97HRH3
SCHEMBL5408219 0.78 ROCK2 (0.59) ROCK2ROCK1CCR2GRIN2BACHE
SCHEMBL3313890 0.77 ROCK2 (0.64) ROCK2ROCK1CCR2DRD4SIGMAR1

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 ROCK2 2/4885ROCK1 1/4885CCR2 2824/4885

“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.