SCHEMBL16816248

SCHEMBL16816248

COc1ccc(CNc2nc([S+](C)[O-])ncc2C(=O)O)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 10/20 0.52
PDE10A Q9Y233 1/20 0.49

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
SCHEMBL30727480 0.89 PDE5A (0.57) PDE5APDE10A
SCHEMBL1679808 0.89 PDE5A (0.57) PDE5APDE10A
SCHEMBL16816047 0.88 PDE5A (0.66) PDE5A
SCHEMBL19158808 0.87 PDE5A (0.43) PDE5A
SCHEMBL16816613 0.86 PDE5A (0.66) PDE5A
SCHEMBL16346217 0.86 PDE5A (0.57) PDE5APDE10A
SCHEMBL17013476 0.85 AGTR1 (0.39) PDE5A
SCHEMBL16348033 0.83 PDE5A (0.44) PDE5A
SCHEMBL4974720 0.82 PDE5A (0.54) PDE5APDE10A
SCHEMBL31189121 0.82 PDE5A (0.54) PDE5APDE10A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980087-B1 PRODRUGS OF BICYCLIC SUBSTITUTED PYRIMIDINE TYPE PDE-5 INHIBITORS XUANZHU PHARMA CO LTD (CN) 2018-06-06 EP disclosed
CN-104487434-B Double cyclosubstituted pyrimidines 山东轩竹医药科技有限公司 2018-05-22 CN disclosed
CN-105102447-B The prodrug of double cyclosubstituted inhibitor of miazines PDE 5 山东轩竹医药科技有限公司 2017-08-25 CN disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
EP-2980087-A1 BICYCLIC SUBSTITUTED PYRIMIDINE PDE-5 INHIBITOR PRODRUG Xuanzhu Pharma Co., Ltd. (CN) 2016-02-03 EP disclosed
CN-105102447-A Bicyclic substituted pyrimidine PDE-5 inhibitor prodrug XUANZHU PHARMA CO LTD 2015-11-25 CN disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 EP disclosed
EP-2886540-A1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS Xuanzhu Pharma Co., Ltd. (CN) 2015-06-24 EP disclosed
CN-104487434-A Bicyclic substituted pyrimidine compounds XUANZHU PHARMA CO LTD 2015-04-01 CN 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 (1 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-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP PDE5A 81/4885PDE10A 169/4885

“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.