SCHEMBL4516459

SCHEMBL4516459

CN(C)c1nc(C(F)(F)F)nc2c1ncn2C1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
PI4KA P42356 3/20 0.41
PI4K2B Q8TCG2 3/20 0.41
PI4K2A Q9BTU6 3/20 0.41
PI4KB Q9UBF8 3/20 0.41
ADORA2A P29274 3/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 2/20 0.41
GRM5 P41594 1/20 0.40
GRM1 Q13255 1/20 0.40
SRC P12931 1/20 0.39
ADORA2B P29275 1/20 0.38
CTSL P07711 3/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 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
SCHEMBL4477711 0.83 PI4KA (0.43) PDE4APDE4BPDE4CPDE4DPI4KA
SCHEMBL4461587 0.80 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL4470221 0.80 PI4KA (0.41) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3137520 0.80 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL4466280 0.80 TDP1 (0.43) PDE4APDE4BPDE4CPDE4DPI4KA
SCHEMBL4477213 0.80 PI4KA (0.41) PDE4APDE4BPDE4CPDE4DPI4KA
SCHEMBL3146377 0.79 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DPI4KA
SCHEMBL4467128 0.78 CTSL (0.41) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL3137196 0.78 CTSL (0.53) PDE4APDE4BPDE4CPDE4DSRC
SCHEMBL4463327 0.77 CNR2 (0.44) PI4KAPI4K2BPI4K2API4KBADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP claimed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US claimed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO claimed
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US 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.