SCHEMBL3133575

SCHEMBL3133575

FC(F)(F)c1nc(NC2CC2)c2[nH]cnc2n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 3/20 0.50
PAK1 Q13153 1/20 0.50
PKM P14618 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ADORA2A P29274 6/20 0.48
ADORA1 P30542 6/20 0.48
TLR7 Q9NYK1 1/20 0.48
ALDH1A1 P00352 1/20 0.47
PIK3CD O00329 1/20 0.46
PIK3CA P42336 1/20 0.46
PIK3CB P42338 1/20 0.46
PIK3CG P48736 1/20 0.46
SYK P43405 2/20 0.45
BTK Q06187 1/20 0.44
TTK P33981 1/20 0.43

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
SCHEMBL3136748 0.94 LMNA (0.58) ADORA3LMNAHTTPAK1PKM
SCHEMBL4917673 0.86 TLR7 (0.40) ADORA3LMNAHTTPAK1PKM
SCHEMBL3137133 0.79 XDH (0.59) ADORA3HTTADORA2A
SCHEMBL3133570 0.78 TLR7 (0.49) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146712 0.78 ADORA3 (0.56) ADORA3LMNAHTTPAK1PKM
SCHEMBL16146850 0.78 LMNA (0.54) ADORA3LMNAHTTPAK1PKM
SCHEMBL133157 0.78 LMNA (0.54) ADORA3LMNAHTTPAK1PKM
SCHEMBL7111204 0.78 XDH (0.62) ADORA3LMNAHTTPAK1PKM
SCHEMBL3141427 0.75 ADORA3 (0.46) ADORA3HTTSYK
SCHEMBL1803031 0.74 LMNA (0.63) ADORA3LMNAHTTPAK1PKM

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 ADORA3 1283/4885LMNA 3793/4885HTT 4634/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A ADORA3 1283/4885LMNA 3793/4885HTT 4634/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B ADORA3 1335/4885LMNA 4029/4885HTT 4684/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A ADORA3 1283/4885LMNA 3793/4885HTT 4634/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B ADORA3 1335/4885LMNA 4029/4885HTT 4684/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A ADORA3 1283/4885LMNA 3793/4885HTT 4634/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A ADORA3 1283/4885LMNA 3793/4885HTT 4634/4885

“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.