SCHEMBL4132844

SCHEMBL4132844

COc1ccc(CCc2ccncc2)c2cc(C3OCCO3)nn12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.63
PDE3A Q14432 3/20 0.35
DAPK3 O43293 1/20 0.32
ROCK2 O75116 1/20 0.32
PRKCG P05129 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KB1 P23443 1/20 0.32
AKT1 P31749 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
PRKCD Q05655 1/20 0.32
PAK1 Q13153 1/20 0.32
STK3 Q13188 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
CDC42BPA Q5VT25 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HRH1 P35367 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL4133638 0.86 PDE4B (0.68) PDE4BPDE3ADAPK3ROCK2PRKCG
SCHEMBL4126249 0.82 PDE4B (0.40) PDE4BPDE3A
SCHEMBL13851046 0.79 PDE4B (0.43) PDE4BPDE3A
SCHEMBL4115851 0.77 PDE4B (1.00) PDE4BPDE3A
SCHEMBL4115283 0.75 PDE4B (0.65) PDE4BPDE3AABCB1
SCHEMBL4122205 0.75 PDE4B (0.68) PDE4BPDE3AABCB1
SCHEMBL4128547 0.72 PDE4B (0.50) PDE4BPDE3A
SCHEMBL4122084 0.72 PDE4B (0.40) PDE4BPDE3A
SCHEMBL4132584 0.68 PDE4B (0.58) PDE4BPDE3A
SCHEMBL4127607 0.67 PDE4B (0.65) PDE4BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 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-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient PDE3A, PDE5A, PDE3B PDE4B 18/4885PDE3A 1/4885DAPK3 1564/4885

“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.