SCHEMBL5885589

SCHEMBL5885589

Cc1ccc(CCNc2nc(Cl)c(C)n(CC(=O)OCc3ccccc3)c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 14/20 0.59
F7 P08709 14/20 0.59
F3 P13726 14/20 0.59
PRSS1 P07477 2/20 0.56
TPSAB1 Q15661 3/20 0.55
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3247707 0.96 F2 (0.60) F2F7F3PRSS1TPSAB1
SCHEMBL7449497 0.87 TPSAB1 (0.57) F2F7F3PRSS1TPSAB1
SCHEMBL7020450 0.87 TPSAB1 (0.54) F2F7F3PRSS1TPSAB1
SCHEMBL7021593 0.86 TPSAB1 (0.53) F2F7F3PRSS1TPSAB1
SCHEMBL3266642 0.85 F2 (0.53) F2F7F3PRSS1TPSAB1
SCHEMBL7403728 0.84 TPSAB1 (0.49) F2F7F3PRSS1TPSAB1
SCHEMBL3242830 0.84 F2 (0.66) F2F7F3PRSS1TPSAB1
SCHEMBL5846880 0.83 F7 (0.61) F2F7F3PRSS1
SCHEMBL7021053 0.83 TPSAB1 (0.51) F2F7F3PRSS1TPSAB1
SCHEMBL7140320 0.83 F2 (0.47) F2F7F3PRSS1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030110-B2 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2006-04-18 US disclosed
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-03-16 US disclosed
EP-1303510-A2 CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-04-23 EP disclosed
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-04-17 US disclosed
US-6476016-B2 INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-05-02 US disclosed
WO-2002006248-A2 CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-01-24 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 (3 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-20020052357-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI F2 12/4885F7 42/4885F3 22/4885
US-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI F2 12/4885F7 42/4885F3 22/4885
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, TFPI, F12 F2 9/4885F7 42/4885F3 10/4885

“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.