SCHEMBL5450729

SCHEMBL5450729

CCCc1nn(C)c2c(=S)[nH]c(-c3cc(S(=O)(=O)N4C[C@@H](C)N[C@@H](C)C4)ccc3OCC)nc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 18/20 0.66
PDE3B Q13370 3/20 0.66
PDE3A Q14432 3/20 0.66
PDE2A O00408 1/20 0.66
ABCC4 O15439 1/20 0.66
ABCC5 O15440 1/20 0.66
PDE6D O43924 1/20 0.66
PDE8A O60658 1/20 0.66
PDE9A O76083 1/20 0.66
ABCB11 O95342 1/20 0.66
CYP3A4 P08684 1/20 0.66
HTR1A P08908 1/20 0.66
PDE6A P16499 1/20 0.66
PDE6G P18545 1/20 0.66
PDE4A P27815 1/20 0.66
ADORA2A P29274 1/20 0.66
ADORA1 P30542 1/20 0.66
ADRA1A P35348 1/20 0.66
PDE6B P35913 1/20 0.66
PDE6C P51160 1/20 0.66

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
SCHEMBL5450733 1.00 PDE5A (0.66) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5452865 0.95 PDE5A (0.62) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5452873 0.95 PDE5A (0.62) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5467118 0.93 PDE5A (0.56) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5467113 0.93 PDE5A (0.56) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5455423 0.92 PDE5A (0.57) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL5455416 0.92 PDE5A (0.57) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL6497382 0.92 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL29394704 0.92 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4
SCHEMBL30434848 0.92 PDE5A (0.79) PDE5APDE3BPDE3APDE2AABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US claimed
US-20230372351-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2023-11-23 US disclosed
US-11684624-B2 Treatment of erectile dysfunction and other indications STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2023-06-27 US disclosed
US-11684624-B2 Treatment of erectile dysfunction and other indications STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2023-06-27 US disclosed
US-20210289832-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-09-23 US disclosed
US-20210213091-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-07-15 US disclosed
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT Poviva Corp. 2021-05-20 US disclosed
US-20210145841-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS Poviva Corp. 2021-05-20 US disclosed
US-20210100807-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2021-04-08 US disclosed
US-20210045998-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS Poviva Corp. 2021-02-18 US disclosed
US-20160256381-A9 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-09-08 US disclosed
US-20160067252-A1 TRANSDERMAL DELIVERY OF SILDENAFIL AND OTHER PHOSPHODIESTERASE TYPE 5 INHIBITORS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-03-10 US disclosed
US-20160067252-A1 TRANSDERMAL DELIVERY OF SILDENAFIL AND OTHER PHOSPHODIESTERASE TYPE 5 INHIBITORS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2016-03-10 US disclosed
US-20140086980-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2014-03-27 US disclosed
US-20140086980-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2014-03-27 US disclosed
US-20140051707-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2014-02-20 US disclosed
US-20140051707-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS STRATEGIC SCIENCE & TECHNOLOGIES, LLC (US) 2014-02-20 US disclosed
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof THE INSTITUTE OF RADIATION MEDICINE, ACADEMY OF MILITARY MEDICAL SCIENCES, PLA (CN) 2007-09-20 US disclosed
EP-1695976-A1 PYRAZOLOPYRIMIDINETHIONE DERIVATIVES, SALTS AND SOLVATES THEREOF, PREPARATION METHODS AND USE THEREOF Institute of Radiation Medicine Academy of Military Medical Sciences of the Pla (CN) 2006-08-30 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 (12 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-11684624-B2 Treatment of erectile dysfunction and other indications PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE3B 5/4885PDE3A 2/4885
US-20140086980-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE3B 5/4885PDE3A 2/4885
US-20070219220-A1 Pyrazolopyrimidinethione Derivatives, Salts and Solvates Thereof, Preparation Methods and Use Thereof PDE5A, PDE3B, PDE3A PDE5A 1/4885PDE3B 2/4885PDE3A 3/4885
US-20160067252-A1 TRANSDERMAL DELIVERY OF SILDENAFIL AND OTHER PHOSPHODIESTERASE TYPE 5 INHIBITORS PDE5A, PDE12, PDE2A PDE5A 1/4885PDE3B 5/4885PDE3A 4/4885
US-20210045998-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS LIPA, MMP8, MMP1 PDE5A 1804/4885PDE3B 1115/4885PDE3A 988/4885
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT LIPC, PNLIP, LIPA PDE5A 2948/4885PDE3B 1823/4885PDE3A 1803/4885
US-20140051707-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE3B 5/4885PDE3A 2/4885
US-20160256381-A9 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE3B 5/4885PDE3A 2/4885
US-20210145841-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS FABP7, LIPA, LIPC PDE5A 2202/4885PDE3B 1581/4885PDE3A 1141/4885
US-20210100807-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE3B 5/4885PDE3A 2/4885
US-20230372351-A1 TREATMENT OF ERECTILE DYSFUNCTION AND OTHER INDICATIONS PDE5A, PDE3A, PDE12 PDE5A 1/4885PDE3B 5/4885PDE3A 2/4885
US-20210213091-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF MGLL, LIPA, LAMP1 PDE5A 2553/4885PDE3B 1872/4885PDE3A 1636/4885

“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.