SCHEMBL3594040

SCHEMBL3594040

CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccc(S(C)(=O)=O)cc3)ccc12

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
MERTK Q12866 2/20 0.38
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
AXL P30530 1/20 0.33
FLT3 P36888 1/20 0.33
TYRO3 Q06418 1/20 0.33
PDE1A P54750 3/20 0.33
PDE1B Q01064 3/20 0.33
PDE1C Q14123 3/20 0.33
GPR119 Q8TDV5 3/20 0.33
PTGS1 P23219 2/20 0.33
AKR1C3 P42330 1/20 0.32
PIK3CD O00329 1/20 0.32
ATR Q13535 1/20 0.32

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
SCHEMBL3602836 0.87 MERTK (0.33) MERTKTYK2PDE1APDE1BPDE1C
SCHEMBL5346457 0.87 PDE1C (0.33) MERTKTYK2PDE1APDE1BPDE1C
SCHEMBL5452107 0.87 MERTK (0.40) PTGS2MERTKPDE1APDE1BPDE1C
SCHEMBL3602702 0.87 PDE1C (0.36) MERTKPDE1APDE1BPDE1C
SCHEMBL3609189 0.87 PDE1C (0.39) PTGS2PDE1APDE1BPDE1C
SCHEMBL3607708 0.87 KHK (0.37) MERTKTYK2PDE1APDE1BPDE1C
SCHEMBL8268486 0.86 MERTK (0.32) MERTKPDE1APDE1BPDE1C
SCHEMBL3593433 0.86 PDE1C (0.35) MERTKTYK2PDE1APDE1BPDE1C
SCHEMBL3607885 0.86 PDE1C (0.45) PDE1APDE1BPDE1CPIK3CD
SCHEMBL5459121 0.85 KHK (0.41) MERTKFLT3PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US claimed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US claimed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US claimed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US claimed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
US-7723348-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2010-05-25 US disclosed
WO-2009067607-A2 COMBINATIONS OF PDE4 INHIBITORS AND ANTIPSYCHOTICS FOR THE TREATMENT OF PSYCHOTIC DISORDERS MEMORY PHARMACEUTICALS CORPORATION (US) 2009-05-28 WO disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-7432266-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-10-07 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN 2008-08-28 US disclosed
US-20070254913-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2007-11-01 US disclosed
US-20060154960-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION 2006-07-13 US 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-20070254913-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PTGS2 328/4885MERTK 3644/4885JAK2 2436/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 PTGS2 328/4885MERTK 3644/4885JAK2 2436/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 PTGS2 328/4885MERTK 3644/4885JAK2 2436/4885

“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.