SCHEMBL4269570

SCHEMBL4269570

CCCC(CC)Oc1nc(NCCc2ccccc2)nc2ccc(N)cc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 8/20 0.46
▸ BCHE P06276 6/20 0.46
▸ ACHE P22303 6/20 0.46
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ TRIM58 Q8NG06 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ ADORA1 P30542 5/20 0.38
▸ ADORA2A P29274 4/20 0.38
▸ ADORA2B P29275 4/20 0.38
▸ TMIGD3 P0DMS9 3/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ RPS27 P42677 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
SCHEMBL4260028 0.89 APP (0.47) APPBCHEACHEPDE4APDE4B
SCHEMBL4259574 0.81 APP (0.50) APPBCHEACHEPDE4APDE4B
SCHEMBL22151175 0.63 APP (0.64) APPBCHEACHEADORA1ADORA2A
SCHEMBL21750424 0.63 CCNC (0.72) APP
SCHEMBL13912334 0.63 EGFR (0.76) APP
SCHEMBL2451092 0.63 APP (0.64) APPBCHEACHEADORA1ADORA2A
SCHEMBL4260830 0.63 F2 (0.50) APPBCHENFKB1NFKB2RELA
SCHEMBL5135085 0.62 APP (0.68) APPBCHEACHESLC2A1
SCHEMBL4260835 0.62 NFKB1 (0.57) APPADORA1ADORA2ANFKB1NFKB2
SCHEMBL8990589 0.61 APP (0.71) APPBCHEACHEADORA1ADORA2A

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-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors LU ZHIMIN 2009-03-26 — — US claimed
US-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors LU ZHIMIN 2009-03-26 — — US disclosed
CN-101269077-A Use of NF-kB inhibitors for treating retroviral infections ZHIMIN LU (CN) 2008-09-24 — — CN disclosed
CN-100418532-C NF-kB compound inhibitor for treating various diseases ZHIMIN LU (CN) 2008-09-17 — — CN disclosed
CN-101239056-A Use of NF-kB inhibitors for treating various diseases ZHIMIN LU (CN) 2008-08-13 — — CN disclosed
CN-1709259-A Use of NF-kB inhibitors in the treatment of various diseases LU ZHIMIN (CN) 2005-12-21 — — CN 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-20090082371-A1 Treatment of Viral Disease and Cancer With Nf-kappaB Inhibitors RELA, NFKBIA, NFKB1 APP 3608/4885BCHE 1675/4885ACHE 3264/4885

“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.

Send feedback