SCHEMBL3247707

SCHEMBL3247707

Cc1c(Cl)nc(NCCc2ccccc2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.60
F7 P08709 12/20 0.60
F3 P13726 12/20 0.60
PRSS1 P07477 2/20 0.60
TPSAB1 Q15661 5/20 0.59

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
SCHEMBL5885589 0.96 F2 (0.59) F2F7F3PRSS1TPSAB1
SCHEMBL7449497 0.91 TPSAB1 (0.57) F2F7F3PRSS1TPSAB1
SCHEMBL7020450 0.90 TPSAB1 (0.54) F2F7F3PRSS1TPSAB1
SCHEMBL7021593 0.89 TPSAB1 (0.53) F2F7F3PRSS1TPSAB1
SCHEMBL3266642 0.89 F2 (0.53) F2F7F3PRSS1TPSAB1
SCHEMBL7403728 0.88 TPSAB1 (0.49) F2F7F3PRSS1TPSAB1
SCHEMBL3242830 0.87 F2 (0.66) F2F7F3PRSS1TPSAB1
SCHEMBL5846880 0.87 F7 (0.61) F2F7F3PRSS1
SCHEMBL7021053 0.86 TPSAB1 (0.51) F2F7F3PRSS1TPSAB1
SCHEMBL7140320 0.86 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6462050-B1 FOR TREATING OR PREVENTING VENOUS, CARDIOGENIC, AND ARTERIAL THROMBOSIS/EMBOLISM, ATHERSCLEROSIS, AND FOR LOWERING PROPENSITY OF DEVICES THAT COME INTO CONTACT WITH BLOOD TO CLOT BLOOD MERCK & CO., INC. 2002-10-08 US disclosed
US-20020035115-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2002-03-21 US disclosed
WO-2002009711-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-02-07 WO disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP 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
EP-0969840-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2001-02-28 EP disclosed
EP-0969840-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2000-01-12 EP disclosed
US-5932606-A Pyrazinone, pyridinone, piperidine and pyrrolidine thrombin inhibitors MERCK & CO., INC. (US) 1999-08-03 US disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1998042342-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 1998-10-01 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 (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-20010021713-A1 Thromboresistant materials incorporating pyrazinone protease inhibitors HPN, SERPINE1, SERPINC1 F2 23/4885F7 98/4885F3 33/4885
US-20020035115-A1 Thrombin inhibitors TFPI, PLAT, F2 F2 3/4885F7 98/4885F3 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.