SCHEMBL5412781

SCHEMBL5412781

c1cc2[nH]ncc2cc1N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.56
CYP3A4 P08684 9/20 0.54
ROCK2 O75116 9/20 0.53
CYP2D6 P10635 3/20 0.51
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
PIK3CA P42336 2/20 0.49
SYK P43405 1/20 0.49
BTK Q06187 1/20 0.49
MAPK14 Q16539 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48

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
SCHEMBL18399012 0.89 SYK (0.59) PLK4PIK3CASYKBTKPDGFRB
SCHEMBL29728069 0.89 SYK (0.59) PLK4PIK3CASYKBTKPDGFRB
SCHEMBL15515501 0.85 CYP3A4 (0.58) CYP3A4ROCK2
SCHEMBL24172739 0.85 CYP3A4 (0.58) CYP3A4ROCK2CYP2D6SLC6A2SLC6A4
SCHEMBL2798618 0.83 CDC7 (0.59) CYP3A4ROCK2CYP2D6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL22412381 0.81 CDC7 (0.58) CYP3A4ROCK2CYP2D6SLC6A2SLC6A4
SCHEMBL30544684 0.80 PIK3CD (0.53) PIK3CASYKBTKPDGFRBPDE3B
SCHEMBL1310062 0.79 ROCK2 (0.51) PLK4ROCK2PIK3CASYKBTK
SCHEMBL5823182 0.79 CYP3A4 (0.55) CYP3A4ROCK2CYP2D6SLC6A2SLC6A4
SCHEMBL1311233 0.79 GRIA1 (0.52) ROCK2PIK3CAMAPK14

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 PLK4 1774/4885CYP3A4 3113/4885ROCK2 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.