SCHEMBL6330350

SCHEMBL6330350

CCCOc1ccccc1-c1nc2c(CCC)n(CCC(=O)N3CCOCC3)nc2c(=O)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
PDE6C P51160 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
PDE1A P54750 2/20 0.47
PDE1B Q01064 2/20 0.47
PDE1C Q14123 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PDE2A O00408 1/20 0.47
PDE6D O43924 1/20 0.47
USP2 O75604 1/20 0.47
PDE9A O76083 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47

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
SCHEMBL6334416 0.92 PDE5A (0.49) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6333005 0.89 PDE5A (0.54) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6331951 0.87 PDE5A (0.56) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6340933 0.85 PDE5A (0.58) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6338179 0.83 PDE5A (0.52) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6332090 0.81 PDE5A (0.57) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6330279 0.81 PDE5A (0.56) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6330058 0.79 PDE5A (0.53) PDE5AALDH1A1KMT2APDE6CMEN1
SCHEMBL6338901 0.78 PDE5A (0.58) PDE5APDE6CPDE1APDE1BPDE1C
SCHEMBL6334236 0.78 PDE5A (0.52) PDE5AALDH1A1KMT2APDE6CMEN1

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 1/4885ALDH1A1 266/4885KMT2A 4191/4885

“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.