SCHEMBL8351979

SCHEMBL8351979

COCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 1.00
EDNRB P24530 19/20 1.00
SLC6A2 P23975 1/20 0.71
TSPO P30536 1/20 0.71
DRD3 P35462 1/20 0.71

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
SCHEMBL14380524 0.92 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8354846 0.92 EDNRA (0.85) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380508 0.90 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380767 0.90 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8351145 0.89 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380528 0.88 EDNRB (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380769 0.86 EDNRA (0.79) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380766 0.86 EDNRB (0.84) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380480 0.85 EDNRB (0.78) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380479 0.84 EDNRB (0.83) EDNRAEDNRBSLC6A2TSPODRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-7452896-B2 Pyrimidine-sulfamides and their use as endothelian receptor antagonist ACTELION PHARMACEUTICALS LTD. (CH) 2008-11-18 US disclosed
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-19 US disclosed
US-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation ACTELION PHARMACEUTICALS LTD. (CH) 2007-07-19 US disclosed
WO-2004050640-A1 PYRIMIDINE-SULFAMIDES AND THEIR USE AS ENDOTHELIAN RECEPTOR ANTAGONIST ACTELION PHARMACEUTICALS LTD (CH) 2004-06-17 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-20070167472-A1 2-Methoxy-ethanesulfamic acid [6-[2-(5-bromo-pyrimidin-2-yloxy)-ethoxy]-5-(2-chloro-5-methoxy-phenoxy)-pyrimidin-4-yl]-amide; vasoconstrictor, mediator of cardiac, renal, endocrine functions; neurotransmitter release, activation of inflammatory cells, fibrosis, cell proliferation and differentiation EDNRA, EDNRB, AGTR2 EDNRA 1/4885EDNRB 2/4885SLC6A2 234/4885

“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.