SCHEMBL4534614

SCHEMBL4534614

CN(C)c1nccc(-n2cnc3c(N(C)C)nc(C(F)(F)F)nc32)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.52
PDE4B Q07343 5/20 0.52
PDE4C Q08493 5/20 0.52
PDE4D Q08499 5/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
GRM1 Q13255 2/20 0.31
GRM5 P41594 1/20 0.31
GAA P10253 1/20 0.31
PDE5A O76074 1/20 0.31
PDE1A P54750 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE1C Q14123 1/20 0.31
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL4522291 0.85 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3136316 0.85 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3145980 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3140815 0.70 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL3142039 0.70 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL6276981 0.69 TLR7 (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL3133728 0.69 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4543246 0.68 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL27611641 0.68 SYK (0.35) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL4516459 0.68 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DPDE3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2009-12-31 US disclosed
US-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS HOPPER ALLEN T 2008-10-30 US disclosed
US-7335654-B2 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORPORATION (US) 2008-02-26 US disclosed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 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-20080269260-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B PDE4A 1/4885PDE4B 5/4885PDE4C 8/4885
US-20090325982-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.