SCHEMBL4376602

SCHEMBL4376602

Cc1ccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.45
GRM5 P41594 1/20 0.45
PDE4A P27815 3/20 0.43
PDE4B Q07343 3/20 0.43
PDE4C Q08493 3/20 0.43
PDE4D Q08499 3/20 0.43
TLR7 Q9NYK1 4/20 0.43
XDH P47989 1/20 0.40
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40
PDE1B Q01064 1/20 0.40
PDE1C Q14123 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MALT1 Q9UDY8 1/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.37
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37

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
SCHEMBL3127387 0.91 TLR7 (0.44) GRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL3142034 0.90 GRM1 (0.46) GRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL3145857 0.89 GRM1 (0.46) GRM1GRM5PDE4APDE4BPDE4C
SCHEMBL3137142 0.89 TLR7 (0.43) GRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL3140675 0.88 TLR7 (0.53) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL3133450 0.88 PDE4A (0.41) GRM1GRM5PDE4APDE4BPDE4C
SCHEMBL3142283 0.88 GRM1 (0.48) GRM1GRM5PDE4APDE4BPDE4C
SCHEMBL3141393 0.87 TLR7 (0.43) GRM1PDE4APDE4BPDE4CPDE4D
SCHEMBL3128403 0.86 MEN1 (0.45) GRM1GRM5PDE4APDE4BPDE4C
SCHEMBL3137890 0.85 TLR7 (0.42) PDE4APDE4BPDE4CPDE4DTLR7

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-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US claimed
CN-1501927-A Trifluoromethylpurines as phosphodiesterase 4 inhibitors 记忆药物公司 2004-06-02 CN claimed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US claimed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 WO claimed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US disclosed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US disclosed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US disclosed
CN-1688580-A 2-Trifluoromethyl-6-aminopurine derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN disclosed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US disclosed
EP-1383767-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2004-01-28 EP disclosed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US disclosed
WO-2002098878-A1 TRIFLUOROMETHYLPURINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2002-12-12 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-20070093510-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE3A GRM1 3482/4885GRM5 3413/4885PDE4A 1/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B GRM1 2495/4885GRM5 3666/4885PDE4A 1/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B GRM1 2495/4885GRM5 3666/4885PDE4A 1/4885

“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.