SCHEMBL3240571

SCHEMBL3240571

Cc1c(Cl)nc(NCC2(c3ccccc3)CCC2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 12/20 0.43
F2 P00734 3/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
PRSS1 P07477 1/20 0.42
PLAU P00749 2/20 0.38
P2RX3 P56373 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7021066 0.83 TPSAB1 (0.41) TPSAB1F2F7F3PRSS1
SCHEMBL3247707 0.81 F2 (0.60) TPSAB1F2F7F3PRSS1
SCHEMBL8205180 0.81 TPSAB1 (0.52) TPSAB1F2F7F3PRSS1
SCHEMBL7140320 0.80 F2 (0.47) TPSAB1F2F7F3PRSS1
SCHEMBL23461161 0.79 F7 (0.47) F2F7F3PRSS1
SCHEMBL7912621 0.79 TPSAB1 (0.61) TPSAB1F2F7F3PRSS1
SCHEMBL7403728 0.79 TPSAB1 (0.49) TPSAB1F2F7F3PRSS1
SCHEMBL3240565 0.79 OPRM1 (0.39) MEN1ALDH1A1HPGDKMT2AL3MBTL1
SCHEMBL5885589 0.78 F2 (0.59) TPSAB1F2F7F3PRSS1
SCHEMBL7023793 0.78 F2 (0.42) TPSAB1F2F7F3PRSS1

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 6 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-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 (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 TPSAB1 73/4885F2 23/4885F7 98/4885

“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.