SCHEMBL3243104

SCHEMBL3243104

Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCONC(=N)N

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.78
PRSS1 P07477 13/20 0.78
PRSS2 P07478 7/20 0.78
PRSS3 P35030 7/20 0.78
F10 P00742 2/20 0.78
PLAT P00750 1/20 0.78

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
Hydrochloric Acid SCHEMBL4901664 0.99 F2 (0.77) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3244747 0.98 F2 (0.74) F2PRSS1PRSS2PRSS3F10
SCHEMBL14281103 0.93 F2 (0.75) F2PRSS1PRSS2PRSS3F10
SCHEMBL3245552 0.91 F2 (0.64) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL6424568 0.90 F2 (0.64) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL3242130 0.90 F2 (0.64) F2PRSS1PRSS2PRSS3F10
SCHEMBL14281101 0.88 F2 (0.72) F2PRSS1PRSS2PRSS3F10
SCHEMBL14281115 0.87 F2 (0.91) F2PRSS1PRSS2PRSS3F10
SCHEMBL4774214 0.87 F2 (1.00) F2PRSS1PRSS2PRSS3F10
SCHEMBL4777953 0.87 F2 (0.73) F2PRSS1PRSS2PRSS3F10

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111870698-B Thrombin-responsive network polymers and uses thereof 中国药科大学 2022-03-11 CN claimed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP claimed
EP-1589029-A2 Pyrazinone protease inhibitors Johnson & Johnson Pharmaceutical Research & Development L.L.C. (US) 2005-10-26 EP claimed
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
CN-111870698-B Thrombin-responsive network polymers and uses thereof 中国药科大学 2022-03-11 CN disclosed
US-20180340163-A1 RECOMBINANT SERINE PROTEASES ACADEMISCH ZIEKENHUIS LEIDEN (NL) 2018-11-29 US disclosed
EP-1589029-B1 Pyrazinone protease inhibitors ORTHO MCNEIL PHARM INC (US) 2010-03-17 EP disclosed
WO-2007146553-A3 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE JANSSEN PHARMACEUTICA NV (BE) 2008-11-06 WO disclosed
US-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE PATEL MITUL N 2008-01-24 US disclosed
US-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE PATEL MITUL N 2008-01-24 US disclosed
WO-2007146553-A2 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-12-21 WO disclosed
WO-2007146553-A2 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE JANSSEN PHARMACEUTICA, N.V. (BE) 2007-12-21 WO 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
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 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 (2 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-20080021044-A1 N-[2-[[(DIAMINOMETHYLENE)AMINO]OXY]ETHYL]-3-[(2,2-DIFLUORO-2-PHENYLETHYL)AMINO]-6-METHYL-2-OXO-1(2H)-PYRAZINEACETAMIDE DNPEP, SPINT2, PEPD F2 154/4885PRSS1 18/4885PRSS2 12/4885
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.