SCHEMBL4513985

SCHEMBL4513985

FC(F)(F)c1nc(N2CCCC2)c2nc[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.47
NPY5R Q15761 1/20 0.41
HTT P42858 4/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.37
ALOX15 P16050 1/20 0.37
AKT2 P31751 1/20 0.37
MAP3K5 Q99683 1/20 0.37
IP6K1 Q92551 3/20 0.35
JAK3 P52333 4/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 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
SCHEMBL20171912 0.85 HTT (0.38) HTTTP53MAPK1LMNAALOX15
SCHEMBL20171876 0.80 HTT (0.41) HTTTP53MAPK1LMNAALOX15
SCHEMBL8830247 0.77 CHUK (0.48) HTTTP53MAPK1LMNAALOX15
SCHEMBL14183741 0.77 HTT (0.41) HTTTP53MAPK1LMNAALOX15
SCHEMBL2229901 0.77 NPY5R (0.43) NPY5RHTTTP53MAPK1LMNA
SCHEMBL4513988 0.77 HTT (0.55) TLR7NPY5RHTTTP53MAPK1
SCHEMBL14183739 0.76 ADORA3 (0.42) HTTTP53MAPK1LMNAALOX15
SCHEMBL8830437 0.76 CHUK (0.50) NPY5RHTTTP53MAPK1LMNA
SCHEMBL14071956 0.76 NPY5R (0.46) NPY5RHTTTP53MAPK1LMNA
SCHEMBL8826309 0.76 CHUK (0.50) NPY5RHTTTP53MAPK1LMNA

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 TLR7 4771/4885NPY5R 1071/4885HTT 4634/4885
US-20040102460-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3A, PDE3B TLR7 4751/4885NPY5R 1672/4885HTT 4684/4885
US-20090325982-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE3A TLR7 4771/4885NPY5R 1071/4885HTT 4634/4885

“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.