SCHEMBL5483486

SCHEMBL5483486

CCOC(=O)Cn1ccnc(NCC(F)(F)c2ccccn2)c1=O

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 20/20 0.62
F10 P00742 1/20 0.52
PRSS1 P07477 4/20 0.49
PRSS2 P07478 2/20 0.49
PRSS3 P35030 2/20 0.49

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
SCHEMBL23461135 0.88 F2 (0.48) F2F10PRSS1PRSS2PRSS3
SCHEMBL5855829 0.86 F2 (0.68) F2F10PRSS1PRSS2PRSS3
SCHEMBL23474205 0.84 FPR2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL6957416 0.83 F2 (0.70) F2PRSS1PRSS2PRSS3
SCHEMBL5478499 0.82 F2 (0.57) F2F10PRSS1PRSS2PRSS3
SCHEMBL5856832 0.82 F2 (0.59) F2F10
SCHEMBL5855071 0.82 F2 (0.68) F2PRSS1
SCHEMBL5487126 0.80 F2 (0.61) F2F10PRSS1PRSS2PRSS3
SCHEMBL5475081 0.79 KDM4E (0.47) F2PRSS1
SCHEMBL12670271 0.77 F2 (0.39) F2F10

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
US-8541580-B2 Process for the preparation of pyrazinone thrombin inhibitor and its intermediates DIAKRON PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
US-8541580-B2 Process for the preparation of pyrazinone thrombin inhibitor and its intermediates DIAKRON PHARMACEUTICALS, INC. (US) 2013-09-24 US disclosed
WO-2011056806-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-12 WO disclosed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES DIAKRON PHARMACEUTICALS, INC. (US) 2011-05-05 US disclosed
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2007-05-03 US disclosed
US-7026324-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-04-11 US disclosed
WO-2005040137-A1 AMINOALKYL-PYRAZINONES AND -PYRIDONES AS THROMBIN INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-05-06 WO disclosed
EP-1526131-A1 Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2005-04-27 EP disclosed
US-20040097730-A1 Thrombin inhibitors MERCK & CO., INC. 2004-05-20 US disclosed
EP-1359913-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2003-11-12 EP disclosed
WO-2002064140-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 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-20040097730-A1 Thrombin inhibitors F3, F2, SERPINC1 F2 2/4885F10 10/4885PRSS1 101/4885
US-20110105753-A1 PROCESS FOR THE PREPARATION OF PYRAZINONE THROMBIN INHIBITOR AND ITS INTERMEDIATES TFPI, TFPI2, F2 F2 3/4885F10 23/4885PRSS1 73/4885
US-20070099927-A1 Aminoalkyl-pyrazinones and-pyridones as thrombin inhibitors F2, F12, SERPINC1 F2 1/4885F10 11/4885PRSS1 67/4885

“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.