SCHEMBL222210

SCHEMBL222210

CCn1nccc1NC(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CTSK P43235 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
HTT P42858 1/20 0.40
PIK3CA P42336 1/20 0.39
NPY5R Q15761 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
MAPK14 Q16539 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL13170046 0.80 MEN1 (0.46) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3766193 0.80 RAB9A (0.48) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL13850731 0.79 MEN1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6360441 0.79 MEN1 (0.44) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL8016742 0.79 KMT2A (0.51) KMT2ASMN1; SMN2RAB9ANPC1L3MBTL1
SCHEMBL253260 0.78 CTSK (0.39) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL7923966 0.76 MEN1 (0.43) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL12630084 0.75 MEN1 (0.42) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL2243691 0.73 MEN1 (0.40) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL1982137 0.73 TAAR1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 US disclosed
EP-2346867-A1 PHOSPHODIESTARASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2011-07-27 EP disclosed
EP-1940835-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-03-30 EP disclosed
WO-2010046791-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2010-04-29 WO disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors GLAXO GROUP LIMITED (GB) 2009-05-21 US disclosed
WO-2008009735-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-01-24 WO disclosed
WO-2007036733-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-05 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 (3 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 KMT2A 2872/4885MEN1 4572/4885ALDH1A1 692/4885
US-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B KMT2A 3957/4885MEN1 4419/4885ALDH1A1 1452/4885
US-20090131431-A1 Pyrazolo[3,4-b]pyridine compounds, and their use as a PDE4 inhibitors PDE4B, PDE3B, PDE4A KMT2A 1734/4885MEN1 4269/4885ALDH1A1 1603/4885

“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.