SCHEMBL6202176

SCHEMBL6202176

CCCCOc1ccc(C(C)=O)cc1C(=O)Nc1c(C(N)=O)nn(C2CN(C(=O)O)C2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.43
HDAC8 Q9BY41 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CREBBP Q92793 4/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE6C P51160 1/20 0.35
MCHR1 Q99705 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6202135 0.90 PDE5A (0.45) PDE5AHDAC8HDAC1HDAC6CREBBP
SCHEMBL6810231 0.78 PDE5A (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL2402678 0.76 PDE5A (0.53) PDE5APDE6C
SCHEMBL6777523 0.75 PDE5A (0.58) PDE5APDE6C
SCHEMBL6201195 0.74 HDAC8 (0.46) HDAC8HDAC1HDAC6CREBBPPDE4A
SCHEMBL6358925 0.73 PDE5A (0.66) PDE5APDE6C
SCHEMBL6629643 0.71 PDE5A (0.49) PDE5A
SCHEMBL6196402 0.69 HDAC8 (0.51) PDE5AHDAC8HDAC1HDAC6CREBBP
SCHEMBL6356946 0.69 PDE5A (0.52) PDE5A
SCHEMBL6199773 0.69 HDAC1 (0.43) PDE5AHDAC8HDAC1HDAC6CREBBP

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
EP-1372656-B1 PYRAZOLO[4,3-D]PYRIMIDINONE COMPOUNDS AS CGMP PDE INHIBITORS PFIZER LTD (GB) 2005-06-22 EP disclosed
US-6784185-B2 PYRAZOLO(4,3-D) PYRIMIDINONE COMPOUNDS USEFUL AS CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASES (CGMP PDES) INHIBITOR PFIZER INC. 2004-08-31 US disclosed
US-20020198223-A1 Pharmaceutically active compounds PFIZER INC. 2002-12-26 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-20020198223-A1 Pharmaceutically active compounds PDE5A, PDE3A, PDE2A PDE5A 1/4885HDAC8 1707/4885HDAC1 484/4885

“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.