SCHEMBL3242831

SCHEMBL3242831

CCc1ccccc1Nc1nc(Cl)c(C)n(CC(=O)O)c1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.44
PRSS1 P07477 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 2/20 0.43
TP53 P04637 1/20 0.42
P2RX7 Q99572 3/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
TPSAB1 Q15661 4/20 0.41
PTGS2 P35354 1/20 0.39
AKR1B10 O60218 1/20 0.39
MAPK14 Q16539 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3247710 0.86 P2RX7 (0.43) F2PRSS1POLBTP53P2RX7
SCHEMBL7456341 0.82 TPSAB1 (0.48) F2PRSS1POLBTP53P2RX7
SCHEMBL3238629 0.79 F2 (0.46) F2PRSS1GAAPOLBTP53
SCHEMBL3242830 0.76 F2 (0.66) F2PRSS1F7F3TPSAB1
SCHEMBL7134370 0.75 F2 (0.41) F2PRSS1GAAF7F3
SCHEMBL7134782 0.73 P2RX7 (0.47) F2PRSS1P2RX7F7F3
SCHEMBL7404619 0.73 GAA (0.46) GAAPOLBTP53P2RX7PTGS2
SCHEMBL7398979 0.71 ALDH1A1 (0.41) GAATP53AKR1B10
SCHEMBL7410701 0.71 TP53 (0.37) GAAPOLBTP53PTGS2
SCHEMBL6999505 0.71 TP53 (0.41) F2GAAPOLBTP53P2RX7

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
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
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
EP-1086122-A1 PYRAZINONE PROTEASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, L.L.C. (US) 2001-03-28 EP disclosed
US-6204263-B1 THROMBIN INHIBITORS. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-03-20 US disclosed
WO-1999064446-A1 PYRAZINONE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-12-16 WO disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 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 (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 F2 23/4885PRSS1 10/4885GAA 2529/4885

“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.