SCHEMBL5230296

SCHEMBL5230296

COc1cc(C(=O)N2CCN(C)CC2)ccc1-c1nc2c(c(-c3ccccc3)nn2C)c(=O)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
PDE7A Q13946 1/20 0.45
BTK Q06187 3/20 0.43
MGLL Q99685 3/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
KDR P35968 2/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
PDE5A O76074 2/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 1/20 0.41
NUAK1 O60285 1/20 0.40
ROCK2 O75116 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
SCHEMBL5231866 0.92 PDE5A (0.45) ALDH1A1PDE7APOLBPDE5AHPGD
SCHEMBL5230127 0.91 PDE7A (0.47) ADORA2APDE7AMGLLPDE5AHPGD
SCHEMBL5233555 0.90 HPGD (0.52) ADORA2APDE7AMGLLPDE5AHPGD
SCHEMBL5230203 0.88 PDE7A (0.48) ALDH1A1MAPTPDE7ACYP2C19PDE5A
SCHEMBL5233490 0.84 PDE7A (0.47) ALDH1A1MAPTADORA2AADORA1PDE7A
SCHEMBL5228627 0.83 PDE7A (0.48) ALDH1A1MAPTPDE7APOLBPDE5A
SCHEMBL5230077 0.82 PDE7A (0.49) ADORA2AADORA1PDE7APDE5APARP1
SCHEMBL5230285 0.82 PDE7A (0.69) PDE7A
SCHEMBL5231363 0.82 PDE5A (0.55) MAPTADORA2AADORA1PDE7APDE5A
SCHEMBL5267935 0.82 PDE7A (0.43) MAPTPDE7APDE5AROCK2

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 ALDH1A1 711/4885MAPT 4356/4885ADORA2A 884/4885

“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.