SCHEMBL3129231

SCHEMBL3129231

CCOC(=O)Cc1cccc(N(Cc2cncnc2)c2ccc(OC(F)F)c(OC(F)F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.38
PDE4A P27815 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
GRM2 Q14416 3/20 0.36
MAOB P27338 2/20 0.35
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DHFR P00374 2/20 0.33
F10 P00742 1/20 0.33
PSMB5 P28074 1/20 0.33
SYK P43405 1/20 0.32
FBP1 P09467 1/20 0.32

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
SCHEMBL3129693 0.92 GRM2 (0.44) PDE4BGRM2
SCHEMBL3199280 0.92 PDE4B (0.36) PDE4BPDE4APDE4CPDE4DMAOB
SCHEMBL3207786 0.88 TRPM8 (0.35) PDE4BPDE4APDE4CPDE4DGRM2
SCHEMBL3129226 0.88 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL3122279 0.85 ALDH1A1 (0.43) PDE4BPDE4APDE4CPDE4DGRM2
SCHEMBL3203958 0.84 HRH4 (0.37) PDE4BPDE4APDE4CPDE4DGRM2
SCHEMBL3218633 0.84 HRH4 (0.37) PDE4BPDE4APDE4CPDE4DGRM2
SCHEMBL3129460 0.81 PDE4A (0.42) PDE4BPDE4APDE4CPDE4DSYK
SCHEMBL3129575 0.80 MRGPRX4 (0.40) PDE4BPDE4APDE4CPDE4D
SCHEMBL3118133 0.79 NAPRT (0.45) PDE4BPDE4APDE4CPDE4DGRM2

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 2 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 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 1/4885PDE4C 7/4885

“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.