SCHEMBL3735970

SCHEMBL3735970

CC(C)(C)OC(=O)Nc1noc2cc(CNC(=O)Cc3c(C#N)ccc(NCC(F)(F)c4ccccn4)[n+]3[O-])ccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 19/20 0.55
PRSS1 P07477 2/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
NSD2 O96028 1/20 0.33

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
SCHEMBL3745661 0.95 F2 (0.50) F2PRSS1PRSS2PRSS3NSD2
SCHEMBL3730111 0.87 F2 (0.71) F2PRSS1PRSS2PRSS3
SCHEMBL3740765 0.83 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL3745909 0.82 F2 (0.37) F2NSD2
SCHEMBL3745657 0.80 F2 (0.47) F2PRSS1PRSS2PRSS3NSD2
SCHEMBL7110448 0.79 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL7112024 0.78 F2 (0.73) F2
SCHEMBL3735597 0.78 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL7108067 0.76 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL3735682 0.76 NSD2 (0.34) F2NSD2

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 5 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

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 F2 1/4885PRSS1 57/4885PRSS2 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.