SCHEMBL5416850

SCHEMBL5416850

c1ccc2c(CNc3ccc4[nH]ncc4c3)c[nH]c2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 15/20 0.59
▸ KDR P35968 1/20 0.50
▸ ROCK2 O75116 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ TRPM5 Q9NZQ8 1/20 0.48
▸ IDH1 O75874 1/20 0.47

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
SCHEMBL5424050 0.79 TRPM5 (0.50) PAK4ROCK2ROCK1TRPM5IDH1
SCHEMBL13122304 0.78 ROCK2 (0.61) ROCK2ROCK1TRPM5IDH1
SCHEMBL5442447 0.76 ROCK2 (0.51) PAK4ROCK2ROCK1TRPM5IDH1
SCHEMBL10263074 0.76 ROCK2 (0.61) PAK4ROCK2ROCK1
SCHEMBL14514403 0.76 ROCK2 (0.61) PAK4ROCK2ROCK1
SCHEMBL5443094 0.76 MEN1 (0.60) ROCK2ROCK1TRPM5
SCHEMBL13122305 0.75 TRPA1 (0.54) ROCK2ROCK1TRPM5IDH1
SCHEMBL11169278 0.75 MAPT (0.58) —
SCHEMBL5897571 0.75 HRH3 (0.60) —
SCHEMBL2801779 0.75 ROCK2 (0.73) ROCK2ROCK1

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 PAK4 415/4885KDR 1972/4885ROCK2 2/4885

“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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