SCHEMBL4898740

SCHEMBL4898740

CCOC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccc2)c1=O

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.63
PRSS1 P07477 9/20 0.63
PRSS2 P07478 5/20 0.63
PRSS3 P35030 5/20 0.63
F10 P00742 2/20 0.63
PLAT P00750 1/20 0.63
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL23460615 0.90 F2 (0.61) F2PRSS1PRSS2PRSS3F10
SCHEMBL6850252 0.90 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL4904924 0.88 F2 (0.67) F2PRSS1PRSS2PRSS3F10
SCHEMBL14281097 0.87 F2 (0.68) F2PRSS1PRSS2PRSS3F10
SCHEMBL6957416 0.87 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL23460833 0.84 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL5474694 0.82 F2 (0.64) F2PRSS1PRSS2PRSS3
SCHEMBL23461135 0.82 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL7448903 0.80 F2 (0.60) F2PRSS1PRSS2PRSS3F10
SCHEMBL6846360 0.80 F2 (0.58) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
US-6011038-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 2000-01-04 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 (4 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 12/4885PRSS1 15/4885PRSS2 21/4885
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-20030073702-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, SERPINE1, TFPI F2 12/4885PRSS1 15/4885PRSS2 21/4885
US-20060058291-A1 Cyclic oxyguanidine pyrazinones as protease inhibitors PLG, TFPI, F12 F2 9/4885PRSS1 15/4885PRSS2 20/4885

“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.