SCHEMBL4789583

SCHEMBL4789583

Cc1cccc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)c1O

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 19/20 0.54
GRK2 P25098 18/20 0.54
GRK3 P35626 2/20 0.54
PRKCA P17252 7/20 0.53
GRK5 P34947 1/20 0.53
GRK7 Q8WTQ7 1/20 0.53
MAPK1 P28482 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
SCHEMBL5123008 0.88 ROCK2 (0.54) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL4790251 0.87 ROCK2 (0.60) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL5113551 0.86 ROCK2 (0.52) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL5116016 0.85 ROCK2 (0.56) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL5117072 0.84 ROCK2 (0.49) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL4788695 0.81 ROCK2 (0.51) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL14314186 0.81 ROCK2 (0.52) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL5117079 0.81 ROCK2 (0.52) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL4790390 0.80 MAPK1 (0.48) ROCK2MAPK1
SCHEMBL5112525 0.80 ROCK2 (0.56) ROCK2GRK2GRK3PRKCAGRK5

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 5 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
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 254/4885GRK3 213/4885

“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.