SCHEMBL4989397

SCHEMBL4989397

COc1ccc(CNc2c(CO)cnc3ccc(C#N)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 1.00
PDE6D O43924 2/20 0.71
PDE6A P16499 2/20 0.71
PDE6G P18545 2/20 0.71
PDE6B P35913 2/20 0.71
PDE6C P51160 2/20 0.71
PDE6H Q13956 2/20 0.71

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
SCHEMBL4990471 0.91 PDE5A (0.84) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4994864 0.91 PDE5A (0.83) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595431 0.90 PDE5A (0.82) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595570 0.89 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595728 0.89 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595726 0.89 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595719 0.89 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL4993526 0.88 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595604 0.88 PDE5A (0.79) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL5595711 0.88 PDE5A (0.78) PDE5APDE6DPDE6APDE6GPDE6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004527459-A 2004-09-09 JP claimed
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2003-12-04 US claimed
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-11-28 US claimed
WO-2002020489-A2 QUINOLINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-14 WO claimed
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7384958-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-10 US disclosed
US-7378430-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-7378430-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-07-05 US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173042-B2 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2005-05-26 US disclosed
US-6835737-B2 For treating conditions such as erectile dysfunction, cardiovascular disorders, male or female sexual dysfunction, diabetes mellitus, and gastrointestinal disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-28 US disclosed
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase BI YINGZHI (US) 2003-12-04 US disclosed
US-6576644-B2 Treating sexual dysfunction including erectile dysfunction, diabetes melitus, gastrointestinal disorders, including gastric paresis and cardiovascular disorders; cyclic guanosine 3',5'-monophosphate (cGMP) BRISTOL-MYERS SQUIBB CO. 2003-06-10 US disclosed
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2002-11-28 US disclosed
WO-2002020489-A2 QUINOLINE INHIBITORS OF cGMP PHOSPHODIESTERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-14 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 (5 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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6D 19/4885PDE6A 8/4885
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6D 19/4885PDE6A 8/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6D 24/4885PDE6A 6/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885PDE6D 27/4885PDE6A 13/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE6D 19/4885PDE6A 8/4885

“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.