SCHEMBL6732980

SCHEMBL6732980

NC(=NO)c1ccc(CNC(=O)[C@@H]2CCc3cnc(NCC(c4ccccc4)c4ccccc4)c(=O)n32)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.45
F7 P08709 7/20 0.45
F3 P13726 7/20 0.45
PRSS1 P07477 2/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MASP2 O00187 2/20 0.41
F10 P00742 4/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 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
SCHEMBL6732975 1.00 F2 (0.45) F2F7F3PRSS1PRSS2
SCHEMBL6733639 0.84 F2 (0.45) F2F7F3PRSS1
SCHEMBL6733644 0.84 F2 (0.45) F2F7F3PRSS1
SCHEMBL6734250 0.79 F2 (0.44) F2PRSS1PRSS2PRSS3
SCHEMBL6995649 0.78 F2 (0.56) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7003096 0.78 F2 (0.56) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL6998939 0.78 F2 (0.56) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7000534 0.78 F2 (0.45) F2PRSS1PRSS2PRSS3F10
SCHEMBL6737271 0.77 F2 (0.49) F2F7F3PRSS1PRSS2
Hydrochloric Acid SCHEMBL7996215 0.77 F2 (0.56) F2PRSS1PRSS2PRSS3MASP2

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
US-6686358-B2 ANTICOAGULANTS; CARDOVISCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2004-02-03 US claimed
US-20020111341-A1 Bicyclic amino-pyrazinone compounds LES LABORATOIRES SERVIER (FR) 2002-08-15 US claimed
EP-1215213-A2 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-06-19 EP claimed
US-6686358-B2 ANTICOAGULANTS; CARDOVISCULAR DISORDERS LES LABORATOIRES SERVIER (FR) 2004-02-03 US disclosed
US-20020111341-A1 Bicyclic amino-pyrazinone compounds LES LABORATOIRES SERVIER (FR) 2002-08-15 US disclosed
EP-1215213-A2 Bicyclic amino-pyrazone derivatives, their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2002-06-19 EP 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-20020111341-A1 Bicyclic amino-pyrazinone compounds CTRL, PRSS3, PRSS1 F2 125/4885F7 1465/4885F3 526/4885

“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.