SCHEMBL9891388

SCHEMBL9891388

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 1.00
▸ EDNRB P24530 18/20 1.00
▸ SLC6A2 P23975 1/20 0.78
▸ TSPO P30536 1/20 0.78
▸ DRD3 P35462 1/20 0.78

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
SCHEMBL14380520 0.93 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380527 0.92 EDNRA (0.85) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380528 0.91 EDNRB (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL17582648 0.90 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL31266904 0.89 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5101990 0.89 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5500351 0.88 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL1445625 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL29378853 0.88 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8354846 0.87 EDNRA (0.85) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938244-B2 Process for manufacturing pyrimidine sulfamide derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-10 — — US disclosed
US-20160368882-A1 PROCESS FOR MANUFACTURING PYRIMIDINE SULFAMIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2016-12-22 — — US disclosed
US-8324232-B2 4-pyrimidinesulfamide derivative ACTELION PHARMACEUTICALS LTD. (CH) 2012-12-04 — — US disclosed
US-20120142716-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE IDORSIA PHARMACEUTICALS LTD (CH) 2012-06-07 — — US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 — — US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 — — 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 (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-20160368882-A1 PROCESS FOR MANUFACTURING PYRIMIDINE SULFAMIDE DERIVATIVES HAT1, SF1, SF3B5 EDNRA 4588/4885EDNRB 3396/4885SLC6A2 1727/4885
US-20120142716-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE EDNRB, EDNRA, TBXA2R EDNRA 2/4885EDNRB 1/4885SLC6A2 834/4885

“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.

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