SCHEMBL5233335

SCHEMBL5233335

CN1CCN(c2ccc(-c3nc4c(c(C5CCCCC5)nn4C)c(=O)[nH]3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 7/20 0.54
TNKS O95271 2/20 0.47
PARP1 P09874 2/20 0.47
TNKS2 Q9H2K2 2/20 0.47
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
CHEK2 O96017 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
LYN P07948 1/20 0.45
SRC P12931 1/20 0.45
CSNK1D P48730 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
KHK P50053 1/20 0.42
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40

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
SCHEMBL5271046 0.94 PDE7A (0.49) PDE7ATNKSPARP1TNKS2CHEK1
SCHEMBL5229882 0.89 PDE7A (0.53) PDE7ATNKSPARP1TNKS2KHK
SCHEMBL5237498 0.85 PDE7A (0.49) PDE7AKHKPDE7B
SCHEMBL5233086 0.84 PDE7A (0.58) PDE7ATNKSPARP1TNKS2
SCHEMBL5234599 0.84 PDE7A (0.69) PDE7ATNKSPARP1TNKS2PDE7B
SCHEMBL5237929 0.84 PDE7A (0.60) PDE7APARP1ALDH1A1KDM4EHPGD
SCHEMBL5235698 0.84 PDE7A (0.73) PDE7APDE7B
SCHEMBL5233482 0.84 PDE7A (0.73) PDE7APDE7B
SCHEMBL5230592 0.82 PDE7A (0.49) PDE7ASMN1; SMN2
SCHEMBL5228266 0.82 PDE7A (0.73) PDE7APDE7B

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 7 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
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 4/4885TNKS 1602/4885PARP1 3442/4885

“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.