SCHEMBL4266790

SCHEMBL4266790

CCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 9/20 0.58
▸ EGFR P00533 2/20 0.53
▸ NR2F2 P24468 1/20 0.52
▸ CCNC P24863 3/20 0.51
▸ CDK8 P49336 3/20 0.51
▸ CDKN1A P38936 1/20 0.51
▸ CDK19 Q9BWU1 1/20 0.51
▸ PDE5A O76074 1/20 0.50
▸ MAPK1 P28482 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CDK1 P06493 3/20 0.48
▸ APP P05067 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ AURKA O14965 1/20 0.46

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
SCHEMBL4274497 0.91 HTT (0.54) HTTEGFRNR2F2CCNCCDK8
SCHEMBL4260015 0.89 HTT (0.52) HTTEGFRNR2F2CCNCCDK8
SCHEMBL4269556 0.88 HTT (0.52) HTTEGFRNR2F2CCNCCDK8
SCHEMBL4264200 0.86 HTT (0.54) HTTEGFRNR2F2CCNCCDK8
SCHEMBL4260827 0.85 EGFR (0.62) HTTEGFRNR2F2CCNCCDK8
SCHEMBL4266991 0.85 HTT (0.53) HTTEGFRNR2F2CCNCCDK8
SCHEMBL4264695 0.85 HTT (0.53) HTTEGFRNR2F2CCNCCDK8
SCHEMBL29350229 0.85 NFKB1 (0.63) HTTEGFRNR2F2CCNCCDK8
SCHEMBL157421 0.85 NFKB1 (0.63) HTTEGFRNR2F2CCNCCDK8
SCHEMBL13912334 0.83 EGFR (0.76) HTTEGFRNR2F2CCNCCDK8

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 HTT 3989/4885EGFR 4591/4885NR2F2 345/4885

“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.

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