SCHEMBL3136346

SCHEMBL3136346

COc1ccc(CCCn2cnc3c(NC4CC4)nc(C(F)(F)F)nc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.52
PDE4B Q07343 2/20 0.52
PDE4C Q08493 2/20 0.52
PDE4D Q08499 2/20 0.52
CTSL P07711 1/20 0.46
CCNE1 P24864 7/20 0.44
CDK2 P24941 7/20 0.44
PDGFRA P16234 4/20 0.44
YTHDC1 Q96MU7 1/20 0.43
PDE5A O76074 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 1/20 0.42
PDE1C Q14123 1/20 0.42
CCNE2 O96020 3/20 0.42
CDK1 P06493 2/20 0.41
CNR2 P34972 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TLR7 Q9NYK1 1/20 0.40

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
SCHEMBL3137739 0.94 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3670288 0.89 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3133524 0.89 CCNE1 (0.53) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3138245 0.88 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3140417 0.84 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCCNE1
SCHEMBL3138782 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3141445 0.84 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3137550 0.82 CCNE1 (0.52) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3137607 0.82 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DCTSL
SCHEMBL3141308 0.81 CTSL (0.49) PDE4APDE4BPDE4CPDE4DCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20040242598-A1 Phosphodiesterase 4 inhibitors LIU RUIPING (US) 2004-12-02 US 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 PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20080139583-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20030045533-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20100004236-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20040242598-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20080119495-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885

“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.