SCHEMBL169870

SCHEMBL169870

CN1C(=O)c2[nH]c(Cc3ccc(C(F)(F)F)cc3)nc2N2C1=NC1CCCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 16/20 1.00
▸ PDE4A P27815 4/20 0.77
▸ PDE4B Q07343 4/20 0.77
▸ PDE4C Q08493 4/20 0.77
▸ PDE4D Q08499 4/20 0.77
▸ PDE3B Q13370 6/20 0.64
▸ PDE3A Q14432 6/20 0.64

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
SCHEMBL1743098 1.00 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL437200 1.00 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL16299617 0.89 PDE5A (0.81) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10201620 0.89 PDE5A (0.84) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715790 0.89 PDE5A (0.80) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715788 0.89 PDE5A (0.80) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL715789 0.89 PDE5A (0.80) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL13443315 0.87 PDE5A (0.81) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10201496 0.87 PDE5A (1.00) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL1961411 0.85 PDE5A (0.75) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-6469016-B1 VAGINAL, VULVAR AND/OR URETHRAL ADMINISTRATION OF A PHARMACEUTICAL FORMULATION CONTAINING A VASOACTIVE AGENT TO INCREASE VAGINAL LUBRICATION VIVUS, INC. 2002-10-22 — — US claimed
US-20200223871-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2020-07-16 — — US disclosed
EP-2389352-B1 ARGINASE INHIBITORS AND METHODS OF USE UNIV PENNSYLVANIA (US) 2019-05-08 — — EP disclosed
US-20190127395-A1 Arginase Inhibitors and Methods of Use ASTRAZENECA AB (SE) 2019-05-02 — — US disclosed
WO-2016161086-A1 METHODS AND COMPOSITIONS FOR TREATING GLYCOGEN STORAGE DISEASES USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2016-10-06 — — WO disclosed
US-9447122-B2 Arginase inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2016-09-20 — — US disclosed
US-20160039847-A1 Arginase Inhibitors and Methods of Use Thereof ASTRAZENECA AB (SE) 2016-02-11 — — US disclosed
US-8894970-B2 Arginase inhibitors and methods of use thereof CORRIDOR PHARMACEUTICALS, INC. (US) 2014-11-25 — — US disclosed
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP DUKE UNIVERSITY (US) 2014-05-08 — — US disclosed
US-20050143388-A1 Nitric oxide donors for treatment of disease and injury NIH - DEITR 2005-06-30 — — US disclosed
EP-1469852-A2 NITRIC OXIDE DONORS FOR TREATMENT OF DISEASE AND INJURY HENRY FORD HEALTH SYSTEM (US) 2004-10-27 — — EP disclosed
WO-2003056899-A9 NITRIC OXIDE DONORS FOR TREATMENT OF DISEASE AND INJURY FORD HENRY HEALTH SYSTEM (US) 2004-04-15 — — WO disclosed
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors VIVUS, INC. 2004-01-22 — — US disclosed
WO-2003056899-A2 NITRIC OXIDE DONORS FOR TREATMENT OF DISEASE AND INJURY HENRY FORD HEALTH SYSTEM (US) 2003-07-17 — — WO disclosed
US-6476037-B1 L-arginine and phosphodiesterase (PDE) inhibitor synergism THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-11-05 — — US disclosed
US-6403597-B1 PRETREATMENT SEXUAL INTERCOURSE VIVUS, INC. 2002-06-11 — — US disclosed
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation VIVUS, INC. 2002-03-28 — — US disclosed
US-6127363-A FOR TRANSURETHRAL OR TRANSDERMAL ADMINISTRATION OR INTRACAVERNOSAL INJECTION, KITS VIVUS, INC. (US) 2000-10-03 — — US 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 (6 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-20200223871-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 PDE5A 56/4885PDE4A 191/4885PDE4B 200/4885
US-20020037828-A1 Administration of phosphodiesterase inhibitors for the treatment of premature ejaculation PDE5A, PDE3B, PDE3A PDE5A 1/4885PDE4A 5/4885PDE4B 8/4885
US-20190127395-A1 Arginase Inhibitors and Methods of Use ARG1, ARG2, NOS2 PDE5A 56/4885PDE4A 191/4885PDE4B 200/4885
US-20040014761-A1 Treatment of female sexual dysfunction with phosphodiesterase inhibitors PDE3A, PDE3B, PDE12 PDE5A 4/4885PDE4A 6/4885PDE4B 10/4885
US-20160039847-A1 Arginase Inhibitors and Methods of Use Thereof ARG1, ARG2, PRMT1 PDE5A 71/4885PDE4A 162/4885PDE4B 225/4885
US-20140128399-A1 METHODS AND COMPOSITIONS FOR TREATING URINARY TRACT INFECTIONS USING AGENTS THAT MIMIC OR ELEVATE CYCLIC AMP PDE7A, PDE8A, PDE8B PDE5A 22/4885PDE4A 6/4885PDE4B 10/4885

“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.

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