SCHEMBL5116803

SCHEMBL5116803

CC(C)(C)N(Cc1nc(-c2ccncc2)n[nH]1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 16/20 0.50
GRK2 P25098 16/20 0.50
GRK3 P35626 2/20 0.47
PRKCA P17252 4/20 0.46
GRK5 P34947 1/20 0.43
GRK7 Q8WTQ7 1/20 0.43
PDE10A Q9Y233 1/20 0.43
LMNA P02545 1/20 0.41

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
SCHEMBL4790463 0.83 ROCK2 (0.58) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL5115985 0.77 ROCK2 (0.48) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL4789113 0.75 ROCK2 (0.55) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL17371937 0.74 MEN1 (0.50) LMNA
SCHEMBL671737 0.74 TDP1 (0.32)
SCHEMBL4788582 0.71 ROCK2 (0.62) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL672749 0.71 TDP1 (0.31)
SCHEMBL6037006 0.71 ROCK2 (0.54) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL14289631 0.70 ROCK2 (0.51) ROCK2GRK2GRK3PRKCAGRK5
SCHEMBL5108758 0.70 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.