SCHEMBL3242679

SCHEMBL3242679

Cc1c(Cl)nc(NCC(c2ccccc2)c2ccccc2)c(=O)n1CC(=O)NCCONC(=N)N

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.57
PRSS1 P07477 3/20 0.57
PRSS2 P07478 1/20 0.57
PRSS3 P35030 1/20 0.57
F7 P08709 17/20 0.55
F3 P13726 17/20 0.55
TPSAB1 Q15661 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL3242184 0.95 F2 (0.53) F2PRSS1PRSS2PRSS3F7
SCHEMBL6423667 0.88 F2 (0.71) F2PRSS1F7F3TPSAB1
SCHEMBL3237743 0.86 F2 (0.77) F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL6422308 0.84 F2 (0.65) F2PRSS1F7F3TPSAB1
Trifluoroacetic Acid SCHEMBL3244903 0.82 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL3247985 0.80 F2 (0.68) F2PRSS1PRSS2PRSS3
SCHEMBL3242842 0.78 F2 (0.65) F2PRSS1PRSS2PRSS3
Trifluoroacetic Acid SCHEMBL3246518 0.76 F2 (0.62) F2PRSS1PRSS2PRSS3
SCHEMBL3264482 0.75 F2 (0.59) F2PRSS1F7F3TPSAB1
SCHEMBL7867229 0.75 F2 (0.44) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086122-B1 PYRAZINONE PROTEASE INHIBITORS JOHNSON & JOHNSON PHARM RES (US) 2005-08-24 EP claimed
US-6514978-B2 Compounds such as 1-(n-(2-(amidinoaminooxy)ethyl)amino) carbonylmethyl-6-methyl-3-(phenethylamino)-pyrazinone attached to a polymer coated onto a medical device for blood collection or storage; antiagglomerants 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US claimed
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors LU TIANBAO (US) 2001-09-13 US claimed
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 US claimed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
EP-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 EP disclosed
EP-1086122-B1 PYRAZINONE PROTEASE INHIBITORS JOHNSON & JOHNSON PHARM RES (US) 2005-08-24 EP disclosed
US-6514978-B2 Compounds such as 1-(n-(2-(amidinoaminooxy)ethyl)amino) carbonylmethyl-6-methyl-3-(phenethylamino)-pyrazinone attached to a polymer coated onto a medical device for blood collection or storage; antiagglomerants 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors LU TIANBAO (US) 2001-09-13 US disclosed
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 US disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 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-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors HPN, SERPINE1, SERPINC1 F2 23/4885PRSS1 10/4885PRSS2 31/4885

“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.