SCHEMBL5413096

SCHEMBL5413096

O=C(NCc1ccc2[nH]ncc2c1)C1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ MAOB P27338 1/20 0.51
▸ ROCK2 O75116 4/20 0.49
▸ ROCK1 Q13464 4/20 0.49
▸ PRKACA P17612 2/20 0.49
▸ RPS6KB1 P23443 2/20 0.49
▸ PRKX P51817 2/20 0.49
▸ PRKG2 Q13237 2/20 0.49
▸ CLK4 Q9HAZ1 2/20 0.49
▸ SGK2 Q9HBY8 2/20 0.49
▸ AURKA O14965 1/20 0.49
▸ DYRK3 O43781 1/20 0.49
▸ PRKD3 O94806 1/20 0.49
▸ PRKCG P05129 1/20 0.49
▸ MARK3 P27448 1/20 0.49
▸ AKT1 P31749 1/20 0.49
▸ CSNK1D P48730 1/20 0.49

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
SCHEMBL5417289 0.80 ROCK2 (0.51) MAPK1ALDH1A1POLBROCK2ROCK1
SCHEMBL5414994 0.79 POLB (0.83) POLBMAOBROCK2ROCK1RPS6KB1
SCHEMBL21387793 0.78 MAPK1 (0.71) MAPK1ALDH1A1MAOBROCK2ROCK1
SCHEMBL24424092 0.77 KDM4E (0.47) MAPK1ALDH1A1ROCK2ROCK1NAMPT
SCHEMBL20385991 0.74 MAPK1 (0.66) MAPK1MAOBROCK2ROCK1PRKACA
SCHEMBL4027409 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2ERCC1ERCC4KDM4E
SCHEMBL4037264 0.73 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2POLBERCC1ERCC4
SCHEMBL4393712 0.73 ALDH1A1 (0.64) MAPK1ALDH1A1SMN1; SMN2ERCC1ERCC4
SCHEMBL13745651 0.73 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL13746002 0.73 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2POLBERCC1ERCC4

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 MAPK1 27/4885ALDH1A1 3541/4885SMN1; SMN2 3394/4885

“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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