SCHEMBL3605128

SCHEMBL3605128

CCc1nn(C2CC2)c2cc(-c3ccnn3-c3cccc(OCc4ccccc4)c3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 12/20 0.45
BCHE P06276 1/20 0.42
LIPC P11150 1/20 0.42
ACHE P22303 1/20 0.42
LIPE Q05469 1/20 0.42
SLC5A1 P13866 1/20 0.39
MAPK14 Q16539 1/20 0.37
AXL P30530 2/20 0.37
MERTK Q12866 2/20 0.37
EGFR P00533 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GRM4 Q14833 1/20 0.36
TYRO3 Q06418 1/20 0.36

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
SCHEMBL3607135 0.88 KHK (0.41) KHKSLC5A1MAPK14AXLMERTK
SCHEMBL3611700 0.88 NT5E (0.43) KHKMAPK14
SCHEMBL3613615 0.87 KHK (0.40) KHKSLC5A1MAPK14AXLMERTK
SCHEMBL3607107 0.85 NT5E (0.44) KHKMAPK14
SCHEMBL3616568 0.83 PIK3CD (0.40) KHKSLC5A1MAPK14
SCHEMBL3612172 0.83 PIK3CD (0.40) KHKSLC5A1MAPK14GRM4
SCHEMBL3607684 0.80 KHK (0.44) KHK
SCHEMBL3607574 0.80 KHK (0.42) KHKMAPK14
SCHEMBL3600483 0.80 MAPK9 (0.44) KHKMAPK14
SCHEMBL3607199 0.80 KHK (0.39) KHKMAPK14AXLMERTKTYRO3

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 18 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
CN-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN 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
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
CN-101166733-A Pyrazole derivatives as phosphodiesterase 4 inhibitors MEMORY PHARM CORP (US) 2008-04-23 CN 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
WO-2006044528-A1 PYRAZOLE DERIVATIVES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-04-27 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 (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 KHK 997/4885BCHE 2534/4885LIPC 2332/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 KHK 997/4885BCHE 2534/4885LIPC 2332/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 KHK 997/4885BCHE 2534/4885LIPC 2332/4885

“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.