SCHEMBL4790650

SCHEMBL4790650

CN(C(=O)c1ccc(OC(=O)C(C)(C)C)cc1O)c1nc(-c2ccncc2)n[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
HSP90AA1 P07900 2/20 0.39
PDK4 Q16654 2/20 0.39
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
ELANE P08246 8/20 0.39
GRM1 Q13255 1/20 0.35
PDE10A Q9Y233 1/20 0.35
CA2 P00918 3/20 0.33
HPGDS O60760 1/20 0.33
ROCK2 O75116 1/20 0.33
GRK2 P25098 1/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL4788081 0.90 ELANE (0.47) ELANEGRM1PDE10ACA2HPGDS
SCHEMBL4811243 0.89 KDM4E (0.39) PDK2HSP90AA1PDK4PDK1PDK3
SCHEMBL4789485 0.86 HSP90AA1 (0.36) PDK2HSP90AA1PDK4PDK1PDK3
SCHEMBL4790262 0.86 ELANE (0.46) ELANEGRM1HPGDSROCK2GRK2
SCHEMBL4790653 0.77 GRK2 (0.49) ROCK2GRK2
SCHEMBL4788586 0.70 GRM1 (0.43) GRM1HPGDSROCK2GRK2
SCHEMBL4788086 0.70 GRK2 (0.49) ELANEROCK2GRK2
SCHEMBL4790122 0.70 GRM1 (0.47) GRM1HPGDSROCK2GRK2
SCHEMBL5109256 0.69 ROCK2 (0.52) PDK2PDK4PDK1PDK3ROCK2
SCHEMBL4788260 0.69 HPGDS (0.55) GRM1HPGDSROCK2GRK2

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 2 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

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 PDK2 1263/4885HSP90AA1 849/4885PDK4 2055/4885

“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.