SCHEMBL1175439

SCHEMBL1175439

Cc1cc(C(=N)NO)cc(Cl)c1OCC1COC(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ5 P48544 2/20 0.36
KCNJ3 P48549 2/20 0.36
HTR7 P34969 1/20 0.35
CA2 P00918 1/20 0.34
MAPK14 Q16539 8/20 0.32
F10 P00742 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1175435 1.00 KCNJ5 (0.36) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL459970 0.92 HTR7 (0.38) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL1189730 0.92 HTR7 (0.38) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL459792 0.92 HTR7 (0.38) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL1174621 0.89 KCNJ5 (0.35) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL1174624 0.89 KCNJ5 (0.35) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL14694047 0.87 KCNJ5 (0.38) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL14694046 0.87 KCNJ5 (0.38) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL2670805 0.87 HTR7 (0.37) KCNJ5KCNJ3HTR7CA2MAPK14
SCHEMBL2064188 0.87 HTR7 (0.37) KCNJ5KCNJ3HTR7CA2MAPK14

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658675-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2014-02-25 US disclosed
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 EP disclosed
EP-2454255-B1 PYRIDIN-4-YL DERIVATIVES AS S1P1/EDG1 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
US-8575200-B2 Pyridin-2-yl derivatives as immunomodulating agents ACTELION PHARMACEUTICALS LTD (CH) 2013-11-05 US disclosed
EP-2252609-B1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2013-04-17 EP disclosed
US-8410151-B2 Aminomethyl benzene derivatives ACTELION PHARMACEUTICALS LTD (CH) 2013-04-02 US disclosed
EP-2222667-B1 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2013-02-20 EP disclosed
US-8299086-B2 Pyrimidine derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-30 US disclosed
EP-2262782-B1 NOVEL AMINOMETHYL BENZENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP disclosed
EP-2262799-B1 PYRIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2012-07-04 EP disclosed
EP-2262799-A1 PYRIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-12-22 EP disclosed
EP-2252609-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS Actelion Pharmaceuticals Ltd. (CH) 2010-11-24 EP disclosed
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2010-10-14 US disclosed
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-09-16 US disclosed
EP-2222667-A2 NOVEL THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 Actelion Pharmaceuticals Ltd. (CH) 2010-09-01 EP disclosed
EP-2217594-A2 NOVEL PYRIMIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-08-18 EP disclosed
WO-2009109906-A1 PYRIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009074950-A2 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 ACTELION PHARMACEUTICALS LTD (CH) 2009-06-18 WO disclosed
WO-2009057079-A2 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-05-07 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 (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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 KCNJ5 469/4885KCNJ3 650/4885HTR7 1475/4885
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD KCNJ5 4086/4885KCNJ3 4326/4885HTR7 4203/4885

“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.