SCHEMBL4523840

SCHEMBL4523840

CN(C)c1nc(C(F)(F)F)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
GAA P10253 1/20 0.35
CHEK1 O14757 1/20 0.33
AURKA O14965 1/20 0.33
PDPK1 O15530 1/20 0.33
CHEK2 O96017 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PRKACA P17612 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PRKCD Q05655 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL30390058 0.78 PDPK1 (0.36) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL9705692 0.78 PDPK1 (0.36) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL4534386 0.78 PARP1 (0.35) PDE4APDE4BPDE4CPDE4DPDPK1
SCHEMBL19777975 0.77 PDPK1 (0.35) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL23760858 0.76 PDPK1 (0.37) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL29623553 0.75 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL3255130 0.75 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DGAA
SCHEMBL20793714 0.75 PDPK1 (0.36) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL1675432 0.75 NOS1 (0.39) GAACHEK1AURKAPDPK1CHEK2
SCHEMBL6747378 0.75 XDH (0.37) CHEK1AURKAPDPK1CHEK2HSP90AA1

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-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
EP-1551837-A1 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceutical Corporation (US) 2005-07-13 EP disclosed
US-20040102460-A1 Phosphodiesterase 4 inhibitors MEMORY PHARMACEUTICALS CORP. 2004-05-27 US disclosed
WO-2004014911-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2004-02-19 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 (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.