SCHEMBL3141402

SCHEMBL3141402

FC(F)(F)c1nc(NC2CCCC2)c2nc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.51
LMNA P02545 3/20 0.43
HTT P42858 3/20 0.43
PAK1 Q13153 2/20 0.43
ULK1 O75385 1/20 0.42
PKM P14618 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MALT1 Q9UDY8 1/20 0.38
ADORA3 P0DMS8 4/20 0.38
GABBR2 O75899 3/20 0.38
GABBR1 Q9UBS5 3/20 0.38
ADORA2A P29274 3/20 0.37
ADORA1 P30542 3/20 0.37
KMT2A Q03164 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
SCHEMBL3133570 0.94 TLR7 (0.49) TLR7LMNAHTTPAK1ULK1
SCHEMBL1803029 0.80 LMNA (0.47) LMNAHTTPAK1PKMHSD17B10
SCHEMBL3136748 0.80 LMNA (0.58) TLR7LMNAHTTPAK1PKM
SCHEMBL7621597 0.78 CHUK (0.50) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146181 0.78 LMNA (0.46) LMNAHTTPAK1PKMHSD17B10
SCHEMBL12282148 0.78 LMNA (0.46) LMNAHTTPAK1PKMHSD17B10
SCHEMBL14183781 0.78 KMT2A (0.49) LMNAHTTPAK1PKMHSD17B10
SCHEMBL16146752 0.77 LMNA (0.47) LMNAHTTPAK1PKMHSD17B10
SCHEMBL5442344 0.77 KMT2A (0.51) LMNAHTTPAK1PKMHSD17B10
SCHEMBL183228 0.77 KMT2A (0.51) LMNAHTTPAK1PKMHSD17B10

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 13 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
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
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
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 TLR7 4771/4885LMNA 3793/4885HTT 4634/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885LMNA 3793/4885HTT 4634/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B TLR7 4751/4885LMNA 4029/4885HTT 4684/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885LMNA 3793/4885HTT 4634/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B TLR7 4751/4885LMNA 4029/4885HTT 4684/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885LMNA 3793/4885HTT 4634/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885LMNA 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.