SCHEMBL4990877

SCHEMBL4990877

COc1ccc(CNc2ccnc3ccc(C#N)cc23)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 1.00
GAK O14976 1/20 0.55
RIPK2 O43353 1/20 0.55
COQ8A Q8NI60 1/20 0.55
NLK Q9UBE8 1/20 0.55

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
SCHEMBL4996776 0.90 PDE5A (0.81) PDE5AGAKRIPK2COQ8ANLK
SCHEMBL7797372 0.86 PDE5A (0.76) PDE5A
SCHEMBL27382857 0.86 PDE5A (0.75) PDE5AGAKRIPK2COQ8ANLK
SCHEMBL4990308 0.82 PDE5A (1.00) PDE5A
SCHEMBL16229852 0.81 PDE5A (0.76) PDE5A
SCHEMBL4990471 0.80 PDE5A (0.84) PDE5A
SCHEMBL4989397 0.79 PDE5A (1.00) PDE5A
SCHEMBL4994864 0.79 PDE5A (0.83) PDE5A
SCHEMBL7494193 0.79 PDE5A (0.70) PDE5A
SCHEMBL4989622 0.79 PDE5A (0.80) PDE5A

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 20 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-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-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-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-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-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 (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 1/4885GAK 1393/4885RIPK2 4577/4885
US-20050113358-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885GAK 1393/4885RIPK2 4577/4885
US-20030225128-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885GAK 1931/4885RIPK2 4476/4885
US-20070117843-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885GAK 1393/4885RIPK2 4577/4885
US-20020177587-A1 Quinoline inhibitors of cGMP phosphodiesterase PDE5A, PDE2A, PDE3A PDE5A 1/4885GAK 802/4885RIPK2 4284/4885
US-20070155775-A1 Quinoline Inhibitors of cGMP Phosphodiesterase PDE5A, PDE3A, PDE2A PDE5A 1/4885GAK 1393/4885RIPK2 4577/4885

“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.