SCHEMBL678868

SCHEMBL678868

CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 4/20 0.69
PDE1B Q01064 4/20 0.69
PDE1C Q14123 4/20 0.69
PDE2A O00408 3/20 0.69
PDE5A O76074 13/20 0.64
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
TSHR P16473 2/20 0.62
MEN1 O00255 1/20 0.62
CYP2C19 P33261 1/20 0.62
BLM P54132 1/20 0.62
KMT2A Q03164 1/20 0.62
PDE3B Q13370 3/20 0.54
PDE3A Q14432 3/20 0.54
CFTR P13569 1/20 0.54
PDE4A P27815 1/20 0.54
MAPK1 P28482 1/20 0.54
ADORA1 P30542 1/20 0.54
SCN1A P35498 1/20 0.54
PDE6C P51160 1/20 0.54

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
SCHEMBL897036 0.82 PDE1A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL6869474 0.81 PDE1A (0.72) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL2917588 0.80 PDE5A (0.74) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL516338 0.79 GAA (0.62) CYP3A4MEN1KMT2AGAAMAPT
SCHEMBL10960174 0.78 PDE1A (0.69) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL9121409 0.78 PDE1A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL14889319 0.78 PDE5A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL4622439 0.78 PDE5A (0.73) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL782824 0.76 PDE5A (1.00) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL10960178 0.76 PDE5A (0.70) PDE1APDE1BPDE1CPDE2APDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050163759-A1 Compositions and methods for ex vivo preservation of blood vessels for vascular grafts using inhibitors of type I and/or type II phosphodiesterases ST. CAMILLUS MEDICAL, INC. 2005-07-28 US claimed
WO-2005054437-A2 COMPOSITIONS AND METHODS FOR EX VIVO PRESERVATION OF BLOOD VESSELS FOR VASCULAR GRAFTS USING INHIBITOR OF TYPE I AND/OR TYPE II PHOSPHODIESTERASES ST. CAMILLUS MEDICAL, INC. (US) 2005-06-16 WO claimed
EP-1418896-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION Vivus, Inc. (US) 2004-05-19 EP claimed
WO-2003000343-A2 ADMINISTRATION OF PHOSPHODIESTERASE INHIBITORS FOR THE TREATMENT OF PREMATURE EJACULATION VIVUS, INC. (US) 2003-01-03 WO claimed
US-6403597-B1 PRETREATMENT SEXUAL INTERCOURSE VIVUS, INC. 2002-06-11 US claimed
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation VIVUS, INC. 2002-03-28 US claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
US-20180291374-A1 INHIBITORS OF MICRORNAs miR-155, miR-103, miR-105 and miR-107 THAT REGULATE PRODUCTION OF ATRIAL NATRIURETIC PEPTIDE (ANP) AS THERAPEUTICS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2018-10-11 US disclosed
US-20170226507-A1 COORDINATE CONTROL OF PATHOGENIC SIGNALING BY THE MIR-130/301 FAMILY IN PULMONARY HYPERTENSION AND FIBROPROLIFERATIVE DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-08-10 US disclosed
US-9388412-B2 Inhibitors of microRNAs that regulate production of atrial natriuretic peptide (ANP) as therapeutics and uses thereof THE GENERAL HOSPITAL CORPORATION (US) 2016-07-12 US disclosed
WO-2016077574-A1 INHIBITORS OF MICRORNAs miR-155, miR-103, miR-105 and miR-107 THAT REGULATE PRODUCTION OF ATRIAL NATRIURETIC PEPTIDE (ANP) AS THERAPEUTICS AND USES THEREOF THE GENERAL HOSPITAL CORPORATION (US) 2016-05-19 WO disclosed
WO-2015171641-A1 COORDINATE CONTROL OF PATHOGENIC SIGNALING BY THE MIR-130/301 FAMILY IN PULMONARY HYPERTENSION AND FIBROPROLIFERATIVE DISEASES BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-11-12 WO disclosed
US-5968911-A ADMINISTERING NITRIC OXIDE PRECURSORS OR DERIVATIVES, PHOSPHODIESTERASE INHIBITORS OR CYCLIC NUCLEOTIDES INTO TRACHEA OR BRONCHI IN AEROSOL FORM THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1999-10-19 US disclosed
US-5552267-A PHOSPHODIESTERASE INHIBITORS, GLUCOSE, MAGNESIUM IONS, BUFFERS, MAGNESIUM IONS AS MACROMOLECULES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 1996-09-03 US disclosed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 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 (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-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation PDE5A, PDE3B, PDE3A PDE1A 24/4885PDE1B 26/4885PDE1C 34/4885

“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.