SCHEMBL3733168

SCHEMBL3733168

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2ccc(CN)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.38
PDPK1 O15530 1/20 0.37
PLAU P00749 1/20 0.36
NR1H2 P55055 1/20 0.35
GRM2 Q14416 1/20 0.34
LOXL2 Q9Y4K0 4/20 0.34
LOX P28300 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SSTR4 P31391 1/20 0.33
SYK P43405 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
NQO2 P16083 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
SCHEMBL29481424 0.91 ROCK1 (0.47) ROCK1PDPK1NR1H2GRM2LOXL2
SCHEMBL17221287 0.91 ROCK1 (0.47) ROCK1PDPK1NR1H2GRM2LOXL2
SCHEMBL29481438 0.91 ROCK1 (0.47) ROCK1PDPK1NR1H2GRM2LOXL2
SCHEMBL3738636 0.88 SSTR4 (0.37) PDPK1PLAUGRM2NR1H4HDAC3
SCHEMBL23012707 0.85 ROCK1 (0.44) ROCK1NR1H2GRM2NR1H4
SCHEMBL3743397 0.83 PDPK1 (0.37) PDPK1HDAC3HDAC1HDAC6SSTR4
SCHEMBL14416205 0.82 HDAC8 (0.35) PDPK1PLAUNR1H4HDAC3HDAC1
SCHEMBL7220504 0.81 PLG (0.43) PDPK1PLAUHDAC3HDAC1HDAC6
SCHEMBL22277233 0.81 NR1H4 (0.40) ROCK1PDPK1GRM2NR1H4
SCHEMBL18300147 0.81 PDPK1 (0.35) PDPK1NR1H4SSTR4SYKAAK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-7829584-B2 Pyridines and pyridine N-oxides as modulators of thrombin JANSSEN PHARMACEUTICA NV (BE) 2010-11-09 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
US-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, N.V. (BE) 2007-09-27 US disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO disclosed
WO-2007109459-A2 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN JANSSEN PHARMACEUTICA, NV (BE) 2007-09-27 WO 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-20070225282-A1 PYRIDINES AND PYRIDINE N-OXIDES AS MODULATORS OF THROMBIN F2, F11, TBXAS1 ROCK1 475/4885PDPK1 2281/4885PLAU 47/4885

“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.