SCHEMBL16135263

SCHEMBL16135263

CCCNS(=O)(=O)Nc1ncnc(OCCOC(C)(C)C)c1-c1ccc(Br)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.76
EDNRB P24530 19/20 0.76
SLC6A2 P23975 1/20 0.76
TSPO P30536 1/20 0.76
DRD3 P35462 1/20 0.76

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
SCHEMBL23876322 0.93 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18330569 0.90 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL12973800 0.88 EDNRA (0.78) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL1445625 0.86 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL29378853 0.86 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL12102199 0.85 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18833088 0.85 EDNRA (0.75) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569175 0.85 EDNRA (0.89) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569102 0.84 EDNRA (0.88) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380521 0.83 EDNRA (1.00) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669264-B2 Process for the preparation of macitentan LAURUS LABS LIMITED (IN) 2020-06-02 US disclosed
WO-2017191565-A1 PROCESS FOR PREPARATION OF MACITENTAN SHILPA MEDICARE LIMITED (IN) 2017-11-09 WO disclosed
US-9676731-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2017-06-13 US disclosed
US-9676731-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2017-06-13 US disclosed
US-9676731-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2017-06-13 US disclosed
EP-2978746-B1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD (CH) 2017-05-10 EP disclosed
EP-2978746-B1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD (CH) 2017-05-10 EP disclosed
WO-2017033016-A1 PROCESS FOR PREPARING AN ENDOTHELIN RECEPTOR ANTAGONIST CIPLA LIMITED (IN) 2017-03-02 WO disclosed
US-20160318879-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-03 US disclosed
US-20160318879-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-03 US disclosed
US-20160318879-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-03 US disclosed
US-9422249-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-23 US disclosed
US-9422249-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-23 US disclosed
US-9422249-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-23 US disclosed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US disclosed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US disclosed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US disclosed
WO-2014155304-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD (CH) 2014-10-02 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 (3 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-10669264-B2 Process for the preparation of macitentan MACO1, MLEC, MPST EDNRA 3404/4885EDNRB 4041/4885SLC6A2 721/4885
US-20160318879-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN DPYD, TYMS, TYMP EDNRA 4088/4885EDNRB 3940/4885SLC6A2 2009/4885
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN DPYD, TYMS, TYMP EDNRA 4008/4885EDNRB 3896/4885SLC6A2 2049/4885

“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.