SCHEMBL3142109

SCHEMBL3142109

O=[N+]([O-])c1cccc(-n2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.39
TLR7 Q9NYK1 2/20 0.39
YTHDC1 Q96MU7 1/20 0.38
XDH P47989 1/20 0.37
MET P08581 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
ENPP2 Q13822 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL3145245 0.86 PDE4A (0.50) FGFR1YTHDC1XDHKEAP1NFE2L2
SCHEMBL3138702 0.84 XDH (0.50) TLR7YTHDC1XDH
SCHEMBL3145902 0.83 YTHDC1 (0.55) YTHDC1MET
SCHEMBL3137312 0.83 TLR7 (0.42) FGFR1TLR7YTHDC1XDHCSNK1D
SCHEMBL3146372 0.83 XDH (0.42) TLR7YTHDC1XDHCSNK1DCSNK1E
SCHEMBL3140675 0.83 TLR7 (0.53) TLR7YTHDC1XDH
SCHEMBL3137223 0.82 YTHDC1 (0.54) TLR7YTHDC1XDH
SCHEMBL3146233 0.82 XDH (0.46) FGFR1TLR7YTHDC1XDHALDH1A1
SCHEMBL3142327 0.82 PIM1 (0.44) TLR7YTHDC1
SCHEMBL3141022 0.81 NR1H2 (0.46) TLR7YTHDC1XDH

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2010-01-14 US claimed
CN-100439370-C Trifluoromethylpurines as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-12-03 CN claimed
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS LIU RUIPING 2008-05-22 US claimed
US-7342021-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-03-11 US claimed
US-7332486-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2008-02-19 US claimed
US-20070093510-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. (US) 2007-04-26 US claimed
CN-1688580-A 2-Trifluoromethyl-6-aminopurine derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2005-10-26 CN claimed
EP-1529049-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-05-11 EP claimed
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
WO-2004014913-A2 DERIVATIVES OF 2-TRIFLUORMETHYL-6-AMINOPURINE AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 WO claimed
US-20030045533-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2003-03-06 US claimed
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
CN-1501927-A Trifluoromethylpurines as phosphodiesterase 4 inhibitors 记忆药物公司 2004-06-02 CN 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 (6 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 FGFR1 1656/4885ABCG2 2133/4885TLR7 4771/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B FGFR1 2005/4885ABCG2 2382/4885TLR7 4751/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A FGFR1 1656/4885ABCG2 2133/4885TLR7 4771/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B FGFR1 2005/4885ABCG2 2382/4885TLR7 4751/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A FGFR1 1656/4885ABCG2 2133/4885TLR7 4771/4885
US-20100010020-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A FGFR1 1656/4885ABCG2 2133/4885TLR7 4771/4885

“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.