SCHEMBL3132756

SCHEMBL3132756

CN(CC(O)CO)c1ccc(N(Cc2cccnc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.41
PDE4A P27815 8/20 0.40
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CETP P11597 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
ADK P55263 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
DHODH Q02127 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
EGFR P00533 1/20 0.33
GRM2 Q14416 1/20 0.33

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
SCHEMBL7949221 0.84 ALDH1A1 (0.38) ALDH1A1LMNAADKMKNK1DHODH
SCHEMBL3121195 0.83 PDE4A (0.49) PDE4BPDE4A
SCHEMBL3193748 0.81 GRM2 (0.43) PDE4BCETPFGFR1FGFR2FGFR4
SCHEMBL3203614 0.81 ALDH1A1 (0.42) PDE4BPDE4AALDH1A1LMNAFGFR1
SCHEMBL3132322 0.78 DHODH (0.40) PDE4BPDE4AALDH1A1LMNADHODH
SCHEMBL3132313 0.78 DHODH (0.40) PDE4BPDE4AALDH1A1LMNADHODH
SCHEMBL7950601 0.77 PDE4B (0.44) PDE4BPDE4ALMNAGRM2
SCHEMBL3132226 0.77 PDE4B (0.43) PDE4BPDE4ALMNAFGFR1FGFR2
SCHEMBL1157700 0.77 PDE4B (0.44) PDE4BPDE4ACHRNB2CHRNA4GRM2
SCHEMBL3121011 0.77 PDE4B (0.40) PDE4BPDE4ALMNACETPGRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 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 (1 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B PDE4B 2/4885PDE4A 1/4885ALDH1A1 190/4885

“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.