SCHEMBL5425214

SCHEMBL5425214

CCCN1C2CCC1CC(Nc1ccc3[nH]nc(Br)c3c1)C2

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 7/20 0.45
▸ ROCK1 Q13464 6/20 0.45
▸ ARHGDIA P52565 5/20 0.45
▸ AXL P30530 4/20 0.42
▸ ITK Q08881 5/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ADORA1 P30542 1/20 0.35

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
SCHEMBL5404336 0.78 ROCK2 (0.70) ROCK2ROCK1ARHGDIA
Hydrochloric Acid SCHEMBL5404775 0.77 ROCK2 (0.69) ROCK2ROCK1ARHGDIA
SCHEMBL5412871 0.70 ROCK2 (0.53) ROCK2ROCK1ARHGDIAAXLALDH1A1
SCHEMBL5412656 0.68 ROCK2 (0.73) ROCK2ROCK1ARHGDIA
SCHEMBL5413166 0.67 ROCK2 (0.70) ROCK2ROCK1ARHGDIA
SCHEMBL5409635 0.67 ROCK2 (0.67) ROCK2ROCK1ARHGDIA
Hydrochloric Acid SCHEMBL5412669 0.66 ROCK2 (0.69) ROCK2ROCK1ARHGDIA
SCHEMBL5417653 0.65 ROCK2 (0.41) ROCK2ROCK1ARHGDIAALDH1A1POLB
SCHEMBL5412298 0.65 ROCK2 (0.67) ROCK2ROCK1ARHGDIA
SCHEMBL5412377 0.65 ROCK2 (0.66) ROCK2ROCK1ARHGDIA

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 1/4885ARHGDIA 3/4885

“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.

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