SCHEMBL20561619

SCHEMBL20561619

CCCc1nn(C)c2c(=S)[nH]c(-c3cc(C(=S)N4CCN(C)CC4)ccc3OCC)nc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.61
PDE6C P51160 3/20 0.61
PDE3B Q13370 3/20 0.58
PDE3A Q14432 3/20 0.58
PDE1A P54750 2/20 0.58
PDE1B Q01064 2/20 0.58
PDE1C Q14123 2/20 0.58
ABCC4 O15439 2/20 0.58
PDE2A O00408 1/20 0.58
ABCC5 O15440 1/20 0.58
PDE6D O43924 1/20 0.58
PDE8A O60658 1/20 0.58
PDE9A O76083 1/20 0.58
ABCB11 O95342 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
PDE6A P16499 1/20 0.58
PDE6G P18545 1/20 0.58
PDE4A P27815 1/20 0.58
ADORA2A P29274 1/20 0.58

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
SCHEMBL21378257 0.95 PDE5A (0.59) PDE5APDE6CPDE3BPDE3APDE1A
Water SCHEMBL28695299 0.94 PDE5A (0.59) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28412134 0.93 PDE5A (0.60) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28409225 0.92 PDE5A (0.61) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28485561 0.89 PDE5A (0.49) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL21401289 0.89 PDE5A (0.49) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28417263 0.89 PDE5A (0.58) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28409118 0.89 PDE5A (0.58) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL28412272 0.86 PDE5A (0.45) PDE5APDE6CPDE3BPDE3APDE1A
SCHEMBL145682 0.83 PDE5A (0.77) PDE5APDE6CPDE3BPDE3APDE1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111732593-A Piperazine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-10-02 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
EP-3553060-B1 POLYCRYSTALLINE MESYLATE OF PHOSPHODIESTERASE TYPE 5 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF JINAN MEILUWEI BIOTECHNOLOGY CO LTD (CN) 2020-12-23 EP disclosed
CN-111732593-A Piperazine oxide derivative and composition, preparation method and application thereof 黄泳华 2020-10-02 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
US-10654859-B2 Methanesulfonate polymorph of 5-type phosphodiesterase inhibitor and preparation method and applications thereof Jinan Meiluwei Biotechnology Co., Ltd. (CN) 2020-05-19 US disclosed
US-10654859-B2 Methanesulfonate polymorph of 5-type phosphodiesterase inhibitor and preparation method and applications thereof Jinan Meiluwei Biotechnology Co., Ltd. (CN) 2020-05-19 US disclosed
EP-3553060-A1 POLYCRYSTALLINE MESYLATE OF PHOSPHODIESTERASE TYPE 5 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Jinan Meiluwei Biotechnology Co., Ltd. (CN) 2019-10-16 EP disclosed
US-20190292192-A1 METHANESULFONATE POLYMORPH OF 5-TYPE PHOSPHODIESTERASE INHIBITOR AND PREPARATION METHOD AND APPLICATIONS THEREOF WANG, Jinglin (CN) 2019-09-26 US disclosed
US-20190292192-A1 METHANESULFONATE POLYMORPH OF 5-TYPE PHOSPHODIESTERASE INHIBITOR AND PREPARATION METHOD AND APPLICATIONS THEREOF WANG, Jinglin (CN) 2019-09-26 US disclosed
WO-2018209809-A1 POLYCRYSTALLINE MESYLATE OF PHOSPHODIESTERASE TYPE 5 INHIBITOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 王靖林 2018-11-22 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-20190292192-A1 METHANESULFONATE POLYMORPH OF 5-TYPE PHOSPHODIESTERASE INHIBITOR AND PREPARATION METHOD AND APPLICATIONS THEREOF PDE5A, PDE3A, PDE9A PDE5A 1/4885PDE6C 20/4885PDE3B 4/4885
US-10654859-B2 Methanesulfonate polymorph of 5-type phosphodiesterase inhibitor and preparation method and applications thereof PDE5A, PDE3A, PDE9A PDE5A 1/4885PDE6C 20/4885PDE3B 4/4885

“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.