SCHEMBL5233091

SCHEMBL5233091

Cn1nc(-c2ccccc2)c2c(=O)[nH]c(-c3ccc(Br)cc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.50
TNKS2 Q9H2K2 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
MAPK13 O15264 3/20 0.49
GCGR P47871 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
MAPK14 Q16539 3/20 0.49
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
PARP1 P09874 2/20 0.44
KDM4E B2RXH2 2/20 0.43
GRM5 P41594 1/20 0.43
PARP2 Q9UGN5 1/20 0.43

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
SCHEMBL5237936 0.92 POLB (0.54) POLBMAPTCYP1A2ALDH1A1CYP2C9
SCHEMBL5234610 0.88 PARP1 (0.50) TNKSTNKS2POLBMAPTCYP1A2
SCHEMBL5230247 0.85 POLB (0.44) TNKSPOLBCYP1A2ALDH1A1CYP2C9
SCHEMBL5233341 0.82 TNKS (0.52) TNKSTNKS2MAPTALDH1A1PARP1
SCHEMBL5228186 0.82 PDE7A (0.49) TP53MAPTCYP1A2KDM4E
SCHEMBL5232552 0.80 HTT (0.53) POLBMAPTALDH1A1HPGDPARP1
SCHEMBL5233730 0.79 PDE5A (0.59) ALDH1A1HPGDKDM4E
SCHEMBL5233078 0.79 PDE5A (0.48) KDM4E
SCHEMBL11274435 0.78 XDH (0.55) MAPTPARP1KDM4EGRM5HSD17B10
SCHEMBL5231538 0.78 PDE5A (0.57) TNKSTNKS2ALDH1A1KDM4EPARP2

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 TNKS 1602/4885TNKS2 1778/4885CYP1A1 1329/4885

“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.