SCHEMBL4811243

SCHEMBL4811243

CC(=O)Oc1ccc(C(=O)N(C)c2nc(-c3ccncc3)n[nH]2)c(O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 2/20 0.39
HSP90AA1 P07900 2/20 0.38
PDK2 Q15119 2/20 0.38
PDK1 Q15118 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
GRM1 Q13255 1/20 0.36
GFER P55789 1/20 0.36
MAPK1 P28482 2/20 0.36
POLB P06746 1/20 0.36
PDE10A Q9Y233 1/20 0.36
CA2 P00918 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
CYP3A4 P08684 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ROCK2 O75116 3/20 0.34

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
SCHEMBL4789485 0.91 HSP90AA1 (0.36) KDM4EMAPTHSP90AA1PDK2PDK1
SCHEMBL4790650 0.89 PDK2 (0.39) HSP90AA1PDK2PDK1PDK3PDK4
SCHEMBL4788081 0.79 ELANE (0.47) KDM4EMAPTGRM1MAPK1POLB
SCHEMBL4811264 0.76 GRK2 (0.51) ROCK2GRK2
SCHEMBL4790262 0.74 ELANE (0.46) KDM4EGRM1CYP3A4ROCK2GRK2
SCHEMBL4788586 0.72 GRM1 (0.43) KDM4EGRM1ROCK2GRK2HPGDS
SCHEMBL4790122 0.72 GRM1 (0.47) KDM4EGRM1POLBROCK2GRK2
SCHEMBL4788260 0.71 HPGDS (0.55) KDM4EGRM1ALDH1A1HPGDROCK2
SCHEMBL5109256 0.69 ROCK2 (0.52) PDK2PDK1PDK3PDK4ROCK2
SCHEMBL4789487 0.68 GRK2 (0.49) ROCK2GRK2

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 KDM4E 2460/4885MAPT 1499/4885HSP90AA1 849/4885

“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.