SCHEMBL5407524

SCHEMBL5407524

O=C(NCc1cccnc1)c1ccc2[nH]ncc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.65
ALDH1A1 P00352 3/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
USP2 O75604 1/20 0.58
HTT P42858 2/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
ROCK2 O75116 2/20 0.56
ROCK1 Q13464 1/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
BLM P54132 1/20 0.56
GAA P10253 1/20 0.55
CYP2C19 P33261 1/20 0.55
CLK1 P49759 1/20 0.54
CLK2 P49760 1/20 0.54
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54

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
SCHEMBL5179231 0.88 MAOB (0.70) MAOBALDH1A1ROCK2ROCK1METTL3
SCHEMBL5442402 0.88 MAOB (0.74) MAOBROCK2ROCK1CLK2DYRK1A
SCHEMBL5407810 0.86 MAOB (0.69) MAOBROCK2ROCK1GAACLK4
SCHEMBL5441326 0.86 MAOB (0.79) MAOBROCK2ROCK1CLK2DYRK1A
SCHEMBL29354110 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1NPSR1USP2HTT
SCHEMBL5412578 0.82 MAOB (0.67) MAOBROCK2ROCK1CLK2DYRK1A
SCHEMBL5413136 0.82 MAOB (0.67) MAOBROCK2ROCK1CLK2DYRK1A
SCHEMBL5413685 0.82 MAOB (0.67) MAOBROCK2ROCK1METTL3MAPK1
SCHEMBL5409324 0.81 MAOB (0.72) MAOBROCK2ROCK1CLK2DYRK1A
SCHEMBL5406113 0.81 MAOB (0.71) MAOBALDH1A1HTTMAPTROCK2

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 MAOB 2025/4885ALDH1A1 3541/4885L3MBTL1 1142/4885

“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.