SCHEMBL4188864

SCHEMBL4188864

COc1ccc2cccnc2c1S(=O)(=O)NC1CCC(NC(=O)c2cccnc2OC2CCSCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.39
CNR1 P21554 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TYK2 P29597 5/20 0.37
PDE4B Q07343 3/20 0.37
PDE4D Q08499 1/20 0.37
SLC40A1 Q9NP59 1/20 0.36
AURKA O14965 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
LYN P07948 1/20 0.36
MET P08581 1/20 0.36
FGR P09769 1/20 0.36
KDR P35968 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
RAB9A P51151 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL13929031 1.00 CNR2 (0.39) CNR2CNR1MEN1KMT2ATYK2
SCHEMBL13929029 0.90 PDE4B (0.38) CNR2CNR1MEN1KMT2ATYK2
SCHEMBL4191375 0.90 PDE4B (0.38) CNR2CNR1MEN1KMT2ATYK2
SCHEMBL5551331 0.90 CNR2 (0.39) CNR2CNR1TYK2
SCHEMBL4200607 0.83 L3MBTL1 (0.53) CNR2CNR1MEN1KMT2A
SCHEMBL13929028 0.83 L3MBTL1 (0.53) CNR2CNR1MEN1KMT2A
SCHEMBL5551244 0.80 PDE4B (0.41) CNR2CNR1TYK2PDE4BPDE4D
SCHEMBL8299116 0.75 CNR2 (0.48) CNR2CNR1TYK2RAB9A
SCHEMBL6012264 0.75 CNR2 (0.60) CNR2CNR1MEN1KMT2ATYK2
Hydrochloric Acid SCHEMBL4185132 0.74 CNR2 (0.47) CNR2CNR1TYK2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US claimed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 US claimed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors BARBER CHRISTOPHER G 2006-08-10 US disclosed
US-20050043326-A1 Compounds PFIZER INC 2005-02-24 US disclosed
US-20050020611-A1 Compounds PFIZER INC. 2005-01-27 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 (4 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-20050020611-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885MEN1 532/4885
US-20060178408-A1 Nicotinamide derivatives useful as pde4 inhibitors PDE4A, PDE4B, PDE4C CNR2 1750/4885CNR1 1800/4885MEN1 1891/4885
US-20090035313-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885MEN1 532/4885
US-20050043326-A1 Compounds NQO1, NAMPT, NNT CNR2 571/4885CNR1 529/4885MEN1 532/4885

“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.