SCHEMBL4996776

SCHEMBL4996776

COc1ccc(CCNc2ccnc3ccc(C#N)cc23)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 13/20 0.81
CCNC P24863 6/20 0.64
CDK8 P49336 6/20 0.64
CDK19 Q9BWU1 3/20 0.57
GAK O14976 1/20 0.53
RIPK2 O43353 1/20 0.53
COQ8A Q8NI60 1/20 0.53
NLK Q9UBE8 1/20 0.53
MAP4K2 Q12851 1/20 0.52
HASPIN Q8TF76 1/20 0.52

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
SCHEMBL4990877 0.90 PDE5A (1.00) PDE5AGAKRIPK2COQ8ANLK
SCHEMBL21750400 0.78 CCNC (1.00) PDE5ACCNCCDK8CDK19MAP4K2
SCHEMBL25414868 0.77 CDK8 (0.79) PDE5ACCNCCDK8CDK19MAP4K2
SCHEMBL30369499 0.77 CDK8 (0.79) PDE5ACCNCCDK8CDK19MAP4K2
SCHEMBL4996769 0.77 PDE5A (0.64) PDE5AGAKRIPK2COQ8ANLK
SCHEMBL6783701 0.77 PDE5A (0.81) PDE5A
SCHEMBL7797372 0.76 PDE5A (0.76) PDE5A
SCHEMBL27382857 0.76 PDE5A (0.75) PDE5ACCNCCDK8GAKRIPK2
SCHEMBL21750416 0.75 CDK8 (0.69) PDE5ACCNCCDK8CDK19GAK
SCHEMBL25176626 0.73 CDK8 (0.80) CCNCCDK8CDK19MAP4K2HASPIN

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20070155775-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-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase BRISTOL-MYERS SQUIBB COMPANY 2007-05-24 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

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-20070155788-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885CCNC 2510/4885CDK8 2528/4885
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885CCNC 2510/4885CDK8 2528/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885CCNC 3216/4885CDK8 2992/4885
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885CCNC 2510/4885CDK8 2528/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885CCNC 3254/4885CDK8 1915/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885CCNC 2510/4885CDK8 2528/4885

“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.