SCHEMBL175950

SCHEMBL175950

CCc1nc(C)c2c(=O)[nH]c3ccccc3n12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 1.00
PDE6D O43924 2/20 1.00
PDE8A O60658 2/20 1.00
PDE5A O76074 2/20 1.00
PDE9A O76083 2/20 1.00
PDE8B O95263 2/20 1.00
PDE6A P16499 2/20 1.00
PDE6G P18545 2/20 1.00
PDE4A P27815 2/20 1.00
PDE6B P35913 2/20 1.00
PDE6C P51160 2/20 1.00
PDE1A P54750 2/20 1.00
PDE1B Q01064 2/20 1.00
PDE4B Q07343 2/20 1.00
PDE4C Q08493 2/20 1.00
PDE4D Q08499 2/20 1.00
PDE3B Q13370 2/20 1.00
PDE7A Q13946 2/20 1.00
PDE6H Q13956 2/20 1.00
PDE1C Q14123 2/20 1.00

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
SCHEMBL29379322 0.85 PDE10A (0.74) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL30728010 0.82 PDE2A (0.70) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL7268354 0.77 PDE3B (0.62) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL971019 0.76 PDE3B (0.61) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL7270195 0.76 PDE4A (0.61) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL7269649 0.75 PDE3B (0.58) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL7268431 0.75 PDE4A (0.58) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL972979 0.73 PDE10A (0.57) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL17817682 0.72 PDE2A (0.56) PDE2APDE6DPDE8APDE5APDE9A
SCHEMBL9052411 0.71 POLB (0.55) PDE2APDE6DPDE8APDE5APDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PFIZER INC 2004-05-06 US 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-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction CAMPBELL SIMON FRASER (GB) 2001-11-22 US claimed
US-20120245134-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2012-09-27 US disclosed
US-8263555-B2 Use of bradykinin and related B2R agonists to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-09-11 US disclosed
US-8252793-B2 Bradykinin receptor agonists and uses thereof to treat ocular hypertension and glaucoma ALCON RESEARCH, LTD. (US) 2012-08-28 US disclosed
US-20120065180-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2012-03-15 US disclosed
US-20120058981-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2012-03-08 US disclosed
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120009152-A1 NITRIC OXIDE DONORS FOR TREATMENT OF DISEASE AND INJURY NIH - DEITR 2012-01-12 US disclosed
US-20110306582-A1 ANDROGEN PHARMACEUTICAL COMPOSITION AND METHOD FOR TREATING DEPRESSION DUDLEY ROBERT E (US) 2011-12-15 US disclosed
US-20010051656-A1 Co-administration of a prostaglandin and an androgenic agent in the treatment of female sexual dysfunction PLACE VIRGIL A (US) 2001-12-13 US disclosed
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction CAMPBELL SIMON FRASER (GB) 2001-11-22 US disclosed
US-6306841-B1 NITROVASODILATOR SELECTED FROM SODIUM NITROPRUSSIDE, DIAZENIUM DIOLATE MOLSIDOMINE, LINSIDOMINE CHLORHYDRATE, S-NITROSOTHIOLS, ORGANIC NITRATES, PHARMACOLOGICALLY ACCEPTABLE SALTS, ASIVI, LLC 2001-10-23 US disclosed
US-6300335-B1 UROGENITAL DISORDERS PFIZER INC. 2001-10-09 US disclosed
WO-2001019357-A2 COMBINATION PREPARATION FOR THE TREATMENT OF SEXUAL DYSFUNCTION BAYER AKTIENGESELLSCHAFT (DE) 2001-03-22 WO disclosed
US-6156753-A Local administration of type III phosphodiesterase inhibitors for the treatment of erectile dysfunction VIVUS, INC. (US) 2000-12-05 US disclosed
US-6127363-A FOR TRANSURETHRAL OR TRANSDERMAL ADMINISTRATION OR INTRACAVERNOSAL INJECTION, KITS VIVUS, INC. (US) 2000-10-03 US disclosed
EP-1027057-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION Asivi, LLC (US) 2000-08-16 EP disclosed
WO-1999021562-A1 TREATMENT OF FEMALE SEXUAL DYSFUNCTION ASIVI, LLC (US) 1999-05-06 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 (3 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-20040087599-A1 cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE5A, PDE2A PDE2A 3/4885PDE6D 24/4885PDE8A 30/4885
US-20010044441-A1 6-heterocyclyl pyrazolo [3,4-d]pyrimidin-4-one cGMP-PDE inhibitors for the treatment of erectile dysfunction PDE3A, PDE2A, PDE3B PDE2A 2/4885PDE6D 22/4885PDE8A 28/4885
US-20120046285-A1 BRADYKININ RECEPTOR AGONISTS AND USES THEREOF TO TREAT OCULAR HYPERTENSION AND GLAUCOMA BDKRB2, BDKRB1, PTGIR PDE2A 286/4885PDE6D 545/4885PDE8A 524/4885

“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.