SCHEMBL3798219

SCHEMBL3798219

N#Cc1ccc(NCC(F)(F)c2ccccn2)nc1CC(=O)NCc1ccc2c(N)noc2c1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.74
PRSS1 P07477 3/20 0.38
PRSS2 P07478 2/20 0.38
PRSS3 P35030 2/20 0.38
KLKB1 P03952 2/20 0.36
MAP4K1 Q92918 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3805130 0.94 F2 (0.66) F2PRSS1PRSS2PRSS3NPC1
SCHEMBL3890635 0.85 F2 (1.00) F2
SCHEMBL3730111 0.84 F2 (0.71) F2PRSS1PRSS2PRSS3KLKB1
SCHEMBL7110408 0.83 F2 (0.55) F2PRSS1PRSS2PRSS3
SCHEMBL13077053 0.80 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL7111308 0.79 F2 (0.54) F2PRSS1PRSS2PRSS3
SCHEMBL7111979 0.79 F2 (0.60) F2PRSS1PRSS2PRSS3
SCHEMBL3740765 0.78 F2 (0.64) F2PRSS1PRSS2PRSS3NPC1
SCHEMBL7110442 0.77 F2 (0.51) F2PRSS1PRSS2PRSS3
SCHEMBL7110164 0.77 F2 (0.54) F2PRSS1PRSS2PRSS3

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 3 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

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.