SCHEMBL5115063

SCHEMBL5115063

O=C(NCc1nc(-c2ccncc2)n[nH]1)c1cccc2c1OCC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.48
GRK2 P25098 15/20 0.48
PRKCA P17252 7/20 0.48
GRK3 P35626 2/20 0.48
GRK5 P34947 1/20 0.48
GRK7 Q8WTQ7 1/20 0.48
ROCK1 Q13464 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PARP1 P09874 1/20 0.42

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
SCHEMBL5116016 0.78 ROCK2 (0.56) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4790251 0.77 ROCK2 (0.60) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4789583 0.77 ROCK2 (0.54) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5123008 0.76 ROCK2 (0.54) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5117079 0.76 ROCK2 (0.52) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5113551 0.75 ROCK2 (0.52) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL14314186 0.73 ROCK2 (0.52) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL5123201 0.73 ALDH1A1 (0.52) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4788582 0.72 ROCK2 (0.62) ROCK2GRK2PRKCAGRK3GRK5
SCHEMBL4790118 0.72 ROCK2 (0.52) 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.