SCHEMBL3136748

SCHEMBL3136748

FC(F)(F)c1nc(NC2CCCC2)c2[nH]cnc2n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
PAK1 Q13153 1/20 0.58
ADORA3 P0DMS8 13/20 0.57
PKM P14618 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ADORA1 P30542 8/20 0.55
ADORA2A P29274 7/20 0.55
ALDH1A1 P00352 1/20 0.54
TLR7 Q9NYK1 2/20 0.50
BTK Q06187 1/20 0.50
ADRA2C P18825 1/20 0.49
TTK P33981 1/20 0.48

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
SCHEMBL3133575 0.94 ADORA3 (0.50) LMNAHTTPAK1ADORA3PKM
SCHEMBL4917673 0.81 TLR7 (0.40) LMNAHTTPAK1ADORA3PKM
SCHEMBL1803031 0.81 LMNA (0.63) LMNAHTTPAK1ADORA3PKM
SCHEMBL3141402 0.80 TLR7 (0.51) LMNAHTTPAK1ADORA3PKM
SCHEMBL16146182 0.79 ADORA3 (0.64) LMNAHTTPAK1ADORA3PKM
SCHEMBL16146275 0.79 LMNA (0.62) LMNAHTTPAK1ADORA3PKM
SCHEMBL7621600 0.79 LMNA (0.62) LMNAHTTPAK1ADORA3PKM
SCHEMBL16146166 0.78 LMNA (0.63) LMNAHTTPAK1ADORA3PKM
SCHEMBL3451451 0.78 LMNA (0.63) LMNAHTTPAK1ADORA3PKM
SCHEMBL16146720 0.78 LMNA (0.63) LMNAHTTPAK1ADORA3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US disclosed
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2010-01-07 US disclosed
EP-1529049-B1 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARM CORP (US) 2009-11-18 EP disclosed
CN-100439370-C Trifluoromethylpurines as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-12-03 CN disclosed
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS TEHIM ASHOK 2008-06-12 US disclosed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US 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
EP-1529049-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-05-11 EP disclosed
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US disclosed
CN-1501927-A Trifluoromethylpurines as phosphodiesterase 4 inhibitors 记忆药物公司 2004-06-02 CN disclosed
WO-2004014913-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO 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 (7 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 LMNA 3793/4885HTT 4634/4885PAK1 811/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A LMNA 3793/4885HTT 4634/4885PAK1 811/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B LMNA 4029/4885HTT 4684/4885PAK1 541/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A LMNA 3793/4885HTT 4634/4885PAK1 811/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B LMNA 4029/4885HTT 4684/4885PAK1 541/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A LMNA 3793/4885HTT 4634/4885PAK1 811/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A LMNA 3793/4885HTT 4634/4885PAK1 811/4885

“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.