SCHEMBL4457602

SCHEMBL4457602

CCc1nc(C(F)(F)F)nc2c1ncn2Cc1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.53
PDE4B Q07343 6/20 0.53
PDE4C Q08493 6/20 0.53
PDE4D Q08499 6/20 0.53
PDE5A O76074 2/20 0.53
PDE1A P54750 2/20 0.53
PDE1B Q01064 2/20 0.53
PDE1C Q14123 2/20 0.53
PDE3B Q13370 2/20 0.43
PDE3A Q14432 2/20 0.43
ADORA2A P29274 1/20 0.42
CNR2 P34972 4/20 0.42
SLC29A1 Q99808 1/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL4461234 0.86 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4950376 0.83 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4478064 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3141287 0.78 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4460257 0.76 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4457782 0.74 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4476351 0.74 YTHDC1 (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4467324 0.73 PI4KA (0.48)
SCHEMBL4460149 0.72 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL12795869 0.72 KDM4E (0.40) ADORA2ASLC29A1HDAC6BRD4CYP2C19

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-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
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
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US 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 PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.