SCHEMBL3225919

SCHEMBL3225919

COc1ccc(C=O)c2cc(C#N)nn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.53
PDE3A Q14432 2/20 0.39
ALDH1A1 P00352 2/20 0.36
NQO1 P15559 1/20 0.36
TRIM24 O15164 1/20 0.36
TYR P14679 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
CDK2 P24941 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MAPK12 P53778 1/20 0.33
CDK5 Q00535 1/20 0.33
STK3 Q13188 1/20 0.33
ROCK1 Q13464 1/20 0.33

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
SCHEMBL13850898 0.81 PDE4B (0.35) PDE4BALDH1A1
SCHEMBL3228099 0.77 PDE4B (0.53) PDE4BPDE3AALDH1A1TRIM24TYR
SCHEMBL2959745 0.76 PDE4B (0.52) PDE4BPDE3AALDH1A1
SCHEMBL3225288 0.75 PDE4B (0.53) PDE4BPDE3AALDH1A1
SCHEMBL3228256 0.75 PDE4B (0.50) PDE4BPDE3AALDH1A1
SCHEMBL3224794 0.75 PDE4B (0.53) PDE4BPDE3AALDH1A1TRIM24TYR
SCHEMBL2961576 0.73 PDE4B (0.54) PDE4BPDE3A
SCHEMBL3216869 0.70 PDE4B (0.47) PDE4BPDE3AALDH1A1TRIM24TYR
SCHEMBL4129434 0.69 PDE4B (0.65) PDE4BPDE3AALDH1A1CDK5STK3
SCHEMBL4127486 0.69 PDE4B (0.70) PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 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
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-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 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 (2 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 1/4885ALDH1A1 209/4885
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same PDE5A, PDE3A, PDE2A PDE4B 9/4885PDE3A 2/4885ALDH1A1 170/4885

“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.