SCHEMBL5122272

SCHEMBL5122272

COc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.76
GRK2 P25098 13/20 0.76
PRKCA P17252 6/20 0.76
GRK3 P35626 2/20 0.62
GRK5 P34947 2/20 0.62
GRK7 Q8WTQ7 1/20 0.62
AURKA O14965 1/20 0.61
PRKACA P17612 2/20 0.57
PRKX P51817 2/20 0.57
PRKCQ Q04759 2/20 0.57
ROCK1 Q13464 2/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
CLK4 Q9HAZ1 1/20 0.57
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
THRB P10828 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
SCHEMBL5116727 0.87 ROCK2 (0.68) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5116756 0.83 ROCK2 (0.59) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5117843 0.82 ROCK2 (0.61) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4788257 0.81 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5116238 0.79 ROCK2 (0.61) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5115271 0.79 ROCK2 (0.62) ROCK2GRK2PRKCAGRK5AURKA
SCHEMBL5112525 0.78 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4789053 0.78 ALDH1A1 (0.66) ROCK2GRK2PRKCAROCK1CYP3A4
SCHEMBL5112465 0.77 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4790124 0.77 ROCK2 (0.59) ROCK2GRK2PRKCAGRK3GRK5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008011557-A2 HETEROARYL INHIBITORS OF RHO KINASE BORCHARDT ALLEN J (US) 2008-01-24 WO disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US disclosed
US-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE Borchardt, Allen (US) 2008-01-24 US 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-20080021217-A1 HETEROCYCLIC INHIBITORS OF RHO KINASE ROCK1, ROCK2, RHOA ROCK2 2/4885GRK2 254/4885PRKCA 110/4885

“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.