SCHEMBL6922165

SCHEMBL6922165

Cc1nc(NCCc2ccccc2)c(=O)n(CNCCONC(=N)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 17/20 0.41
F7 P08709 8/20 0.41
F3 P13726 8/20 0.41
PRSS1 P07477 7/20 0.39
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
TPSAB1 Q15661 1/20 0.37
MASP2 O00187 1/20 0.36

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
SCHEMBL3264482 0.82 F2 (0.59) F2F7F3PRSS1TPSAB1
SCHEMBL3241754 0.80 F2 (0.58) F2PRSS1PRSS2PRSS3
SCHEMBL7867236 0.74 F2 (0.34) F2F7F3PRSS1PRSS2
SCHEMBL3249073 0.67 F2 (0.55) F2F7F3PRSS1TPSAB1
SCHEMBL6423667 0.66 F2 (0.71) F2F7F3PRSS1TPSAB1
SCHEMBL7319515 0.66 IDO1 (0.30)
Trifluoroacetic Acid SCHEMBL6422308 0.65 F2 (0.65) F2F7F3PRSS1TPSAB1
SCHEMBL3244661 0.63 F2 (0.69) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL3242830 0.61 F2 (0.66) F2F7F3PRSS1TPSAB1
Trifluoroacetic Acid SCHEMBL3242113 0.61 F2 (0.63) F2PRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 23/4885F7 98/4885F3 33/4885

“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.