SCHEMBL5654640

SCHEMBL5654640

COc1ccccc1Oc1c(OCCO)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.51
EDNRB P24530 5/20 0.51
DHPS P49366 14/20 0.50

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
SCHEMBL5631564 0.94 EDNRB (0.43) EDNRAEDNRBDHPS
SCHEMBL6973000 0.91 EDNRA (0.43) EDNRAEDNRBDHPS
SCHEMBL5654649 0.91 DHPS (0.62) EDNRAEDNRBDHPS
SCHEMBL5632829 0.91 EDNRA (0.51) EDNRAEDNRB
SCHEMBL5632224 0.91 EDNRB (0.42) EDNRAEDNRBDHPS
SCHEMBL30490457 0.88 DHPS (0.50) EDNRAEDNRBDHPS
SCHEMBL6178213 0.88 DHPS (0.50) EDNRAEDNRBDHPS
SCHEMBL6972287 0.88 DHPS (0.42) EDNRAEDNRBDHPS
SCHEMBL5632776 0.87 DHPS (0.43) EDNRAEDNRBDHPS
SCHEMBL29060539 0.86 EDNRA (0.55) EDNRAEDNRBDHPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979822-B1 Process for the preparation of 2-carbamoyl-pyridines HOFFMANN LA ROCHE (CH) 2005-11-30 EP claimed
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP claimed
EP-1060749-B1 Aqueous pharmaceutical composition comprising Tezosentan ACTELION PHARMACEUTICALS LTD (CH) 2003-03-26 EP claimed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US claimed
EP-0979822-A1 Process for the preparation of 2-carbamoyl-pyridines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP claimed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 EP claimed
CN-116456984-A Stable crystalline hydrate of claritan disodium salt 爱杜西亚药品有限公司 2023-07-18 CN disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
EP-1693372-A1 Novel Sulfamides and their use as endothelin receptor antagonists Actelion Pharmaceuticals Ltd. (CH) 2006-08-23 EP disclosed
US-7094781-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-22 US disclosed
US-20060178365-A1 Optionally oxidized 6-(2-(5-methylthio-2-pyrimidinyloxy)ethoxy)-2-phenylpyrimidin-4-yl-substituted sulfamides BOLLI MARTIN 2006-08-10 US disclosed
EP-1345920-B1 NOVEL SULFAMIDES AND THEIR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-04-12 EP disclosed
EP-0979822-B1 Process for the preparation of 2-carbamoyl-pyridines HOFFMANN LA ROCHE (CH) 2005-11-30 EP disclosed
EP-0897914-B1 Process for the preparation of 2,5-disubstitued pyridines HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 US disclosed
US-6103902-A Carbamoylation process HOFFMANN-LA ROCHE INC. (US) 2000-08-15 US disclosed
US-6080866-A A CHEMICAL INTERMEDIATES FOR ENDOTHELIN RECEPTOR ANTAGONISTS HOFFMANN-LA ROCHE INC. (US) 2000-06-27 US disclosed
EP-0979822-A1 Process for the preparation of 2-carbamoyl-pyridines F. HOFFMANN-LA ROCHE AG (CH) 2000-02-16 EP disclosed
EP-0897914-A1 Process for the preparation of 2,5-disubstitued pyridines F. HOFFMANN-LA ROCHE AG (CH) 1999-02-24 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 (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-20060178365-A1 Optionally oxidized 6-(2-(5-methylthio-2-pyrimidinyloxy)ethoxy)-2-phenylpyrimidin-4-yl-substituted sulfamides EDNRA, EDNRB, ECE2 EDNRA 1/4885EDNRB 2/4885DHPS 273/4885
US-20040077670-A1 Novel sulfamides and their use as endothelin receptor antagonists EDNRA, EDNRB, ECE1 EDNRA 1/4885EDNRB 2/4885DHPS 1711/4885

“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.