SCHEMBL2773188

SCHEMBL2773188

O=C(O)NC1CC=C(F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
CASP6 P55212 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 5/20 0.34
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 3/20 0.34
TAS1R2 Q8TE23 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 2/20 0.33
ATM Q13315 1/20 0.33
EPHX1 P07099 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
EPHX2 P34913 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL13734425 0.79 POLB (0.45) POLBCASP6CTDSP1TDP1NPC1
SCHEMBL27007783 0.76 POLB (0.34) POLBCASP6CTDSP1TDP1NPC1
SCHEMBL6846815 0.76 LMNA (0.30) LMNA
SCHEMBL15122679 0.76 BTK (0.44) EPHX1GAAEPHX2KMT2A
SCHEMBL1137192 0.74 DRD2 (0.39) POLBCASP6CTDSP1TDP1
SCHEMBL19359218 0.74 NAMPT (0.46) NPC1RAB9ASMN1; SMN2GAAMEN1
SCHEMBL15939245 0.74 DRD3 (0.39) POLBCASP6CTDSP1TDP1NPC1
SCHEMBL21382793 0.74 NAMPT (0.41) RAB9AEPHX1GAA
SCHEMBL20564634 0.71 DRD2 (0.36)
SCHEMBL585618 0.70 CYP2D6 (0.40) TDP1NPC1RAB9ASMN1; SMN2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581532-B1 PYRAZOLO¬3,4-B PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2010-04-28 EP disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
EP-1539753-B1 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LTD (GB) 2009-09-09 EP disclosed
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED 2008-07-24 US disclosed
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2008-06-05 US disclosed
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors GLAXO GROUP LIMITED (GB) 2007-05-17 US disclosed
EP-1737857-A1 PYRAZOLO[3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2007-01-03 EP disclosed
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2006-04-27 US disclosed
EP-1581532-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-10-05 EP disclosed
WO-2005058892-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-30 WO disclosed
EP-1539753-A2 PYRAZOLO(3,4-B)PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004056823-A1 PYRAZOLO[3,4-b]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-08 WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 WO 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 (5 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-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE4B, PDE12 POLB 1213/4885CASP6 2521/4885CTDSP1 1768/4885
US-20080132536-A1 PYRAZOLO [3,4-B] PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS PDE4A, PDE4B, PDE4C POLB 1918/4885CASP6 2247/4885CTDSP1 2242/4885
US-20070111995-A1 Pyrazolo [3,4-B] pyridine Compounds and Their Use as Phosphodiesterase Inhibitors PDE4B, PDE3B, PDE4A POLB 1575/4885CASP6 3344/4885CTDSP1 2272/4885
US-20080175914-A1 Pyrazolo[3,4-b]Pyridine Compounds, and their Use as Phosphodiesterase Inhibitors PDE5A, PDE3B, PDE4A POLB 2166/4885CASP6 3776/4885CTDSP1 3074/4885
US-20060089375-A1 Pyrazolo[3,4-b] pyridine compounds, and their use as phosphodiesterase inhibitors PDE5A, PDE3B, PDE4A POLB 2166/4885CASP6 3776/4885CTDSP1 3074/4885

“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.