SCHEMBL5229893

SCHEMBL5229893

CNC1CCN(c2ccc(-c3nc4c(c(-c5ccccc5)nn4C)c(=O)[nH]3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.47
PARP1 P09874 4/20 0.39
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
MCHR1 Q99705 1/20 0.39
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE5A O76074 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5233341 0.86 TNKS (0.52) KHKPARP1TNKSTNKS2CCNA2
SCHEMBL5231771 0.85 PDE7A (0.49)
SCHEMBL5230869 0.84 PDE5A (0.50) PDE5A
SCHEMBL5229882 0.82 PDE7A (0.53) KHKPARP1TNKSTNKS2
SCHEMBL5237936 0.81 POLB (0.54) PARP1POLBALDH1A1SMN1; SMN2NPSR1
SCHEMBL1813961 0.81 PDE7A (0.41) PARP1ALDH1A1SMN1; SMN2NPSR1PDE5A
SCHEMBL5234610 0.79 PARP1 (0.50) PARP1TNKSTNKS2POLBALDH1A1
SCHEMBL5237498 0.79 PDE7A (0.49) KHK
SCHEMBL5232583 0.78 KHK (0.41) KHK
SCHEMBL5233091 0.77 TNKS (0.50) PARP1TNKSTNKS2POLBALDH1A1

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 4 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-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 KHK 2017/4885PARP1 3442/4885TNKS 1602/4885

“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.