SCHEMBL3607708

SCHEMBL3607708

CCc1nn(C2CCOCC2)c2nc(-c3ccnn3-c3ccncc3)ccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.37
PDE9A O76083 5/20 0.34
PDE1A P54750 5/20 0.34
PDE1B Q01064 5/20 0.34
PDE1C Q14123 5/20 0.34
MKNK1 Q9BUB5 1/20 0.34
TYK2 P29597 2/20 0.33
MERTK Q12866 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PDE4D Q08499 1/20 0.31
PIK3CD O00329 1/20 0.31

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
SCHEMBL3609189 0.92 PDE1C (0.39) KHKPDE9APDE1APDE1BPDE1C
SCHEMBL5452107 0.90 MERTK (0.40) KHKPDE1APDE1BPDE1CMERTK
SCHEMBL3602836 0.90 MERTK (0.33) PDE9APDE1APDE1BPDE1CTYK2
SCHEMBL3602702 0.90 PDE1C (0.36) PDE9APDE1APDE1BPDE1CMERTK
SCHEMBL5346457 0.90 PDE1C (0.33) PDE9APDE1APDE1BPDE1CTYK2
SCHEMBL3593433 0.89 PDE1C (0.35) KHKPDE9APDE1APDE1BPDE1C
SCHEMBL3607885 0.89 PDE1C (0.45) PDE9APDE1APDE1BPDE1CPIK3CD
SCHEMBL5459121 0.88 KHK (0.41) KHKMERTKPIK3CD
SCHEMBL3602390 0.88 MTOR (0.33) PDE9APDE1APDE1BPDE1CTYK2
SCHEMBL3594040 0.87 PTGS2 (0.42) PDE1APDE1BPDE1CTYK2MERTK

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-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-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATION GMNB (DE) 2010-06-10 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-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
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 (4 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 997/4885PDE9A 11/4885PDE1A 17/4885
US-20080207660-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE12 KHK 997/4885PDE9A 11/4885PDE1A 17/4885
US-20100144681-A1 COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE PSEN1, PSEN2, ADORA3 KHK 3342/4885PDE9A 3180/4885PDE1A 2176/4885
US-20060154960-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE12 KHK 997/4885PDE9A 11/4885PDE1A 17/4885

“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.