SCHEMBL4476326

SCHEMBL4476326

CCc1nc(C(F)(F)F)nc2c1ncn2-c1ccnc(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.36
CSNK1E P49674 2/20 0.36
XDH P47989 2/20 0.34
PDE4A P27815 5/20 0.34
PDE4B Q07343 5/20 0.34
PDE4C Q08493 5/20 0.34
PDE4D Q08499 5/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PDE5A O76074 1/20 0.32
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
CTSV O60911 1/20 0.31
CTSL P07711 1/20 0.31
CTSH P09668 1/20 0.31
CTSS P25774 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
SCHEMBL4468803 0.85 PDE4A (0.36) CSNK1DCSNK1EXDHPDE4APDE4B
SCHEMBL4465473 0.84 XDH (0.48) CSNK1DXDHPDE4APDE4BPDE4C
SCHEMBL4458840 0.83 XDH (0.44) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL4472575 0.82 PDE4A (0.44) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL4467324 0.81 PI4KA (0.48) CSNK1DCSNK1EXDHCTSVCTSL
SCHEMBL4457782 0.81 PDE4A (0.36) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL4474039 0.81 XDH (0.48) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL4466459 0.80 XDH (0.43) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL4466888 0.80 ADORA2A (0.39) XDHPDE4APDE4BPDE4CPDE4D
SCHEMBL4466877 0.80 XDH (0.50) XDHPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US claimed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US claimed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US claimed
CN-1688578-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN claimed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US claimed
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US disclosed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US disclosed
CN-100415747-C Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-09-03 CN disclosed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US disclosed
CN-1688578-A Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP disclosed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US disclosed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 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-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CSNK1D 708/4885CSNK1E 1063/4885XDH 226/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B CSNK1D 357/4885CSNK1E 855/4885XDH 259/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A CSNK1D 708/4885CSNK1E 1063/4885XDH 226/4885

“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.