SCHEMBL5228438

SCHEMBL5228438

CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-c3nc4c(c(C5CCCCC5)nn4C)c(=O)[nH]3)c(OC)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.60
POLB P06746 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PDE5A O76074 5/20 0.48
PDE1A P54750 3/20 0.48
PDE1B Q01064 3/20 0.48
PDE1C Q14123 3/20 0.48
GAA P10253 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL5234871 0.91 PDE7A (0.64) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5230428 0.88 PDE7A (0.67) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL14407663 0.87 PDE7A (0.64) PDE7A
SCHEMBL5235405 0.87 PDE7A (0.70) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5231356 0.87 PDE7A (0.69) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5232171 0.86 PDE7A (0.68) PDE7APDE5APDE1APDE1BPDE1C
Hydrochloric Acid SCHEMBL5228893 0.86 PDE7A (0.68) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5228445 0.86 POLB (0.50) POLBKMT2AMEN1KDM4EPDE5A
SCHEMBL5273342 0.86 PDE7A (0.66) PDE7APDE5APDE1APDE1BPDE1C
SCHEMBL5232725 0.86 PDE7A (0.65) PDE7APDE5APDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1454897-B1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7-INHIBITORY ACTIVITY ASUBIO PHARMA CO LTD (JP) 2007-10-10 EP disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-7268128-B2 1,3,5-trisubstituted-5-phenyl and 5-pyridyl pyrazolopyrimidinone derivatives having PDE7 inhibiting action AUSBIO PHARMA CO., LTD. (JP) 2007-09-11 US disclosed
US-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action OMEROS CORPORATION 2005-07-07 US disclosed
EP-1454897-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES HAVING PDE7−INHIBITORY ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-09-08 EP 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-20050148604-A1 Pyrazolopyrimidinone derivatives having PDE7 inhibiting action PDE7B, PDE3B, PDE3A PDE7A 4/4885POLB 2355/4885KMT2A 4007/4885

“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.