SCHEMBL1679808

SCHEMBL1679808

CCOC(=O)c1cnc([S+](C)[O-])nc1NCc1ccc(OC)c(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.57
PDE6D O43924 1/20 0.54
PDE6A P16499 1/20 0.54
PDE6G P18545 1/20 0.54
PDE6B P35913 1/20 0.54
PDE6C P51160 1/20 0.54
PDE6H Q13956 1/20 0.54
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
KMT2A Q03164 1/20 0.47
PDE10A Q9Y233 1/20 0.46

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 1.00 PDE5A (0.57) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16816274 0.94 PDE5A (0.49) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16137821 0.91 POLB (0.48) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16816516 0.89 POLB (0.47) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16816248 0.89 PDE5A (0.52) PDE5APDE10A
SCHEMBL17013499 0.87 MAPT (0.48) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16848002 0.87 PDE5A (0.48) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16345647 0.87 PDE5A (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4976195 0.87 PDE5A (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL16816784 0.86 MAPT (0.46) PDE5AMEN1POLBTHRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430591-A Synthesis method of avanafil 康普药业股份有限公司 2024-01-23 CN claimed
CN-108658872-B Preparation method of avanafil intermediate WUXI FURTHER PHARMACEUTICAL Co.,Ltd. (CN) 2021-06-22 CN claimed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN claimed
WO-2015001567-A1 PROCESS FOR THE PREPARATION OF (S)-4-[(3-CHLORO-4-METHOXYBENZYL)AMINO]-2-[2- (HYDROXYMETHYL)-1-PYRROLIDINYL]-N-(2-PYRIMIDINYL METHYL-5-PYRIMIDINE CARBOXAMIDE MSN LABORATORIES PRIVATE LIMITED (IN) 2015-01-08 WO claimed
CN-117430591-A Synthesis method of avanafil 康普药业股份有限公司 2024-01-23 CN disclosed
CN-113880817-A Avanafil impurity D and synthesis method and application thereof 嘉实(湖南)医药科技有限公司 2022-01-04 CN disclosed
CN-108658872-B Preparation method of avanafil intermediate WUXI FURTHER PHARMACEUTICAL Co.,Ltd. (CN) 2021-06-22 CN disclosed
CN-108658872-B Preparation method of avanafil intermediate WUXI FURTHER PHARMACEUTICAL Co.,Ltd. (CN) 2021-06-22 CN disclosed
CN-111297868-A Use of a composition comprising a heterocyclic compound for the manufacture of a medicament for the treatment of phosphodiesterase mediated diseases 黄泳华 2020-06-19 CN disclosed
EP-2980087-B1 PRODRUGS OF BICYCLIC SUBSTITUTED PYRIMIDINE TYPE PDE-5 INHIBITORS XUANZHU PHARMA CO LTD (CN) 2018-06-06 EP disclosed
EP-2980087-B1 PRODRUGS OF BICYCLIC SUBSTITUTED PYRIMIDINE TYPE PDE-5 INHIBITORS XUANZHU PHARMA CO LTD (CN) 2018-06-06 EP disclosed
EP-2886540-B1 BICYCLIC SUBSTITUTED PYRIMIDINE COMPOUNDS XUANZHU PHARMA CO LTD (CN) 2017-07-26 EP disclosed
US-6656935-B2 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis TANABE SEIYAKU CO., LTD. (JP) 2003-12-02 US disclosed
US-20030195220-A1 A tablet has an acid, with reduced solubility in the neutral and alkaline regions, is used for treating sexual disorders erectile dysfunction MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-10-16 US disclosed
CN-1440393-A cyclic compound TANABE SEIYAKU CO (JP) 2003-09-03 CN disclosed
EP-1316316-A1 PREPARATIONS FOR ORAL ADMINISTRATION TANABE SEIYAKU CO., LTD. (JP) 2003-06-04 EP disclosed
US-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis MITSUBISHI TANABE PHARMA CORPORATION (JP) 2003-02-13 US disclosed
EP-1277741-A1 CYCLIC COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2003-01-22 EP disclosed
CN-1374953-A 6-membered aromatic ring compound containing nitrogen TANABE SEIYAKU CO (JP) 2002-10-16 CN disclosed
EP-1219609-A1 AROMATIC NITROGENOUS SIX-MEMBERED RING COMPOUNDS TANABE SEIYAKU CO., LTD. (JP) 2002-07-03 EP 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-20030032647-A1 Treatment of penile erectile dysfunction, pulmonary hypertension, and diabetic gastroparesis PDE3A, PDE3B, PDE2A PDE5A 4/4885PDE6D 55/4885PDE6A 36/4885
US-20030195220-A1 A tablet has an acid, with reduced solubility in the neutral and alkaline regions, is used for treating sexual disorders erectile dysfunction PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6D 28/4885PDE6A 16/4885

“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.