SCHEMBL1175673

SCHEMBL1175673

COc1cc(OCC2COC(C)(C)O2)ccc1C(=N)NO

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.41
PARP15 Q460N3 1/20 0.39
PARP10 Q53GL7 1/20 0.39
CCNK O75909 1/20 0.39
CDK12 Q9NYV4 1/20 0.39
HTR1A P08908 1/20 0.37
ADRA1B P35368 1/20 0.37
F2RL3 Q96RI0 1/20 0.36
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL1175671 1.00 MAPK14 (0.41) MAPK14PARP15PARP10CCNKCDK12
SCHEMBL3086717 0.88 MAPK14 (0.42) MAPK14CCNKCDK12
SCHEMBL3086715 0.88 MAPK14 (0.42) MAPK14CCNKCDK12
SCHEMBL1175355 0.81 MAPK14 (0.41) MAPK14CCNKCDK12ALDH1A1
SCHEMBL1175351 0.81 MAPK14 (0.41) MAPK14CCNKCDK12ALDH1A1
SCHEMBL12661493 0.81 MAPK14 (0.45) MAPK14CCNKCDK12HTR1AADRA1B
SCHEMBL1176084 0.77 HTR7 (0.35) MAPK14CCNKCDK12F2RL3ALDH1A1
SCHEMBL1176082 0.77 HTR7 (0.35) MAPK14CCNKCDK12F2RL3ALDH1A1
SCHEMBL3340226 0.76 KCNJ5 (0.36) MAPK14CCNKCDK12
SCHEMBL12661576 0.76 MAPK14 (0.43) MAPK14CCNKCDK12HTR1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217594-B1 NOVEL PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-01-08 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
US-8148410-B2 Thiophene derivatives as agonists of S1P1/EDG1 ACTELION PHARMACEUTICALS LTD. (CH) 2012-04-03 US disclosed
US-20110028448-A1 PYRIDINE COMPOUNDS ACTELON PHARMACEUTICALS LTD. (CH) 2011-02-03 US 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-2009109872-A1 PYRIDIN-2-YL DERIVATIVES AS IMMUNOMODULATING AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-09-11 WO disclosed
WO-2009109906-A1 PYRIDINE COMPOUNDS 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 (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-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 MAPK14 3076/4885PARP15 1695/4885PARP10 2324/4885
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD MAPK14 2373/4885PARP15 636/4885PARP10 769/4885
US-20110028448-A1 PYRIDINE COMPOUNDS CD47, ICOS, NFATC1 MAPK14 1926/4885PARP15 254/4885PARP10 493/4885

“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.