SCHEMBL4467324

SCHEMBL4467324

CCc1nc(C(F)(F)F)nc2c1ncn2-c1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
KMT2A Q03164 1/20 0.42
CSNK1D P48730 14/20 0.42
XDH P47989 1/20 0.41
CSNK1E P49674 9/20 0.39
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSH P09668 1/20 0.37
CTSS P25774 1/20 0.37
CASP1 P29466 1/20 0.37
CTSK P43235 1/20 0.37
CTSC P53634 1/20 0.37
CTSZ Q9UBR2 1/20 0.37
GRM1 Q13255 1/20 0.36

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
SCHEMBL4465473 0.88 XDH (0.48) PI4KAPI4K2BPI4K2API4KBCSNK1D
SCHEMBL4474039 0.87 XDH (0.48) XDHGRM1
SCHEMBL4472575 0.87 PDE4A (0.44) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL4465552 0.86 XDH (0.40) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL4466877 0.86 XDH (0.50) PI4KAPI4K2BPI4K2API4KBKMT2A
SCHEMBL4457782 0.85 PDE4A (0.36) PI4KAPI4K2BPI4K2API4KBKMT2A
SCHEMBL4474196 0.85 RXRA (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL4472995 0.85 XDH (0.41) PI4KAPI4K2BPI4K2API4KBXDH
SCHEMBL4463593 0.84 XDH (0.39) XDHCTSVCTSLCTSHCTSS
SCHEMBL4463439 0.84 XDH (0.38) PI4KAPI4K2BPI4K2API4KBCSNK1D

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 15 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
CN-100415747-C Phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-09-03 CN 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 PI4KA 453/4885PI4K2B 674/4885PI4K2A 960/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PI4KA 212/4885PI4K2B 350/4885PI4K2A 492/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PI4KA 453/4885PI4K2B 674/4885PI4K2A 960/4885

“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.