SCHEMBL5409256

SCHEMBL5409256

c1ccc(CN2CCC(Nc3ccc4cn[nH]c4c3)CC2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.83
ROCK1 Q13464 13/20 0.83
CCR2 P41597 6/20 0.83
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
APAF1 O14727 1/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ARHGDIA P52565 1/20 0.58

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
Hydrochloric Acid SCHEMBL5409061 0.99 ROCK2 (0.82) ROCK2ROCK1CCR2KDM4EMEN1
SCHEMBL224917 0.91 ROCK2 (1.00) ROCK2ROCK1CCR2ARHGDIA
Hydrochloric Acid SCHEMBL1716387 0.90 ROCK2 (0.98) ROCK2ROCK1CCR2ARHGDIA
Hydrochloric Acid SCHEMBL2457372 0.90 ROCK2 (0.98) ROCK2ROCK1CCR2ARHGDIA
Hydrochloric Acid SCHEMBL2457485 0.89 ROCK2 (0.96) ROCK2ROCK1CCR2ARHGDIA
SCHEMBL658944 0.87 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL600089 0.84 ROCK2 (1.00) ROCK2ROCK1CCR2
SCHEMBL1717186 0.83 ROCK2 (0.80) ROCK2ROCK1CCR2
SCHEMBL4833796 0.82 ROCK2 (0.64) ROCK2ROCK1CCR2KDM4E
SCHEMBL1716784 0.82 ROCK2 (0.81) ROCK2ROCK1CCR2

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 1/4885CCR2 2824/4885

“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.