SCHEMBL6334207

SCHEMBL6334207

CCCOc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CCC)n(Cc3nccn3C)nc2c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.70
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
PDE2A O00408 1/20 0.52
PDE6D O43924 1/20 0.52
PDE9A O76083 1/20 0.52
CHRM2 P08172 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
PDE6A P16499 1/20 0.52
PDE6G P18545 1/20 0.52
MAOA P21397 1/20 0.52
PDE4A P27815 1/20 0.52
ADORA1 P30542 1/20 0.52
ADRA1A P35348 1/20 0.52
PDE6B P35913 1/20 0.52
PDE6C P51160 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
SLC6A3 Q01959 1/20 0.52
PDE4B Q07343 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
SCHEMBL6334350 0.94 PDE5A (0.62) PDE5APDE3BPDE3APDE2APDE6D
SCHEMBL6332520 0.94 PDE5A (0.63) PDE5APDE3BPDE3APDE1APDE1B
SCHEMBL6332148 0.90 PDE5A (0.69) PDE5APDE3BPDE3APDE2APDE6D
SCHEMBL6332519 0.89 PDE5A (0.68) PDE5APDE3BPDE3APDE2APDE6D
SCHEMBL6332578 0.88 PDE5A (0.68) PDE5APDE3BPDE3A
SCHEMBL6332839 0.87 PDE5A (0.66) PDE5A
SCHEMBL6330255 0.87 PDE5A (0.65) PDE5APDE3BPDE3A
SCHEMBL5595647 0.87 PDE5A (0.91) PDE5APDE6C
SCHEMBL6330401 0.86 PDE5A (0.76) PDE5APDE6C
SCHEMBL6330919 0.86 PDE5A (0.70) PDE5APDE3BPDE3APDE2APDE6D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6916927-B2 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3′,5′-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC. 2005-07-12 US disclosed
US-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PFIZER INC 2004-09-16 US disclosed
US-6723719-B1 DYSMENORRHOEA, BENIGN PROSTATIC HYPERPLASIA (BPH), BLADDER OUTLET OBSTRUCTION, INCONTINENCE, AGINA, CONGESTIVE HEART FAILURE, ATHEROSCLEROSIS; HYPOTENSIVE AND ANTIALLERGEN AGENTS PFIZER INC 2004-04-20 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 (1 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-20040180944-A1 Pyrazolopyrimidinones which inhibit type 5 cyclic guanosine 3',5'-monophosphate phosphodiesterase (cGMP-PDE5) for the treatment of sexual dysfunction PDE5A, PDE3A, PDE3B PDE5A 1/4885PDE3B 3/4885PDE3A 2/4885

“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.