SCHEMBL1175396

SCHEMBL1175396

CCc1cc(C#N)cc(C)c1OCC(O)CN

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.35
S1PR1 P21453 7/20 0.35
SCN4A P35499 2/20 0.35
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.33
S1PR3 Q99500 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
SCHEMBL1175393 1.00 TSHR (0.49) TSHRALOX15KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3714866 0.92 TSHR (0.47) TSHRALOX15KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3714865 0.92 TSHR (0.47) TSHRALOX15KMT2ASMN1; SMN2ALDH1A1
SCHEMBL773113 0.89 TSHR (0.60) TSHRALOX15KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1176040 0.80 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL1176038 0.80 S1PR1 (0.54) S1PR1S1PR3
SCHEMBL28040009 0.77 PGR (0.32) ALDH1A1SCN4AMAPT
SCHEMBL767863 0.72 TSHR (0.65) TSHRALOX15KMT2ASMN1; SMN2ALDH1A1
SCHEMBL767862 0.72 TSHR (0.65) TSHRALOX15KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1176307 0.71 ALDH1A1 (0.41) TSHRKMT2ASMN1; SMN2ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970236-B1 PYRIDIN-4-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-30 EP disclosed
US-9617250-B2 Pyridin-4-yl derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2017-04-11 US disclosed
US-20160031866-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-04 US disclosed
EP-2970236-A1 PYRIDIN-4-YL DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2016-01-20 EP disclosed
WO-2014141171-A1 PYRIDIN-4-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2014-09-18 WO disclosed
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
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-2009109904-A1 NOVEL AMINOMETHYL BENZENE DERIVATIVES 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-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-20160031866-A1 PYRIDIN-4-YL DERIVATIVES CD4, IL2, CD47 TSHR 1018/4885ALOX15 1074/4885KMT2A 3083/4885
US-20100261702-A1 THIOPHENE DERIVATIVES AS AGONISTS OF S1P1/EDG1 S1PR1, S1PR3, S1PR5 TSHR 580/4885ALOX15 547/4885KMT2A 3418/4885
US-20100234346-A1 NOVEL PYRIMIDINE DERIVATIVES TYMP, TYMS, DPYD TSHR 3634/4885ALOX15 2160/4885KMT2A 3011/4885

“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.