SCHEMBL4664952

SCHEMBL4664952

CCS(=O)(=O)N1CCC(c2n[nH]c3c(C(N)=O)nc(-c4ccccc4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.51
CHUK O15111 3/20 0.51
AURKA O14965 1/20 0.46
FLT3 P36888 1/20 0.46
CSNK1E P49674 1/20 0.46
BTK Q06187 1/20 0.46
JAK2 O60674 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
MMP3 P08254 1/20 0.37

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
SCHEMBL3391403 0.84 IKBKB (0.69) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4663358 0.83 IKBKB (0.43) IKBKBCHUKBTKJAK2
SCHEMBL4663285 0.83 IKBKB (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4664932 0.83 IKBKB (0.70) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4666824 0.83 IKBKB (0.55) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4665016 0.82 HTT (0.48) JAK2KDM4EHTT
SCHEMBL4664992 0.82 ALDH1A1 (0.41) JAK2KDM4E
SCHEMBL3395968 0.76 IKBKB (0.56) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3393092 0.76 IKBKB (0.54) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL3392939 0.76 IKBKB (0.56) IKBKBCHUKAURKAFLT3CSNK1E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO claimed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 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 (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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 IKBKB 16/4885CHUK 42/4885AURKA 1194/4885

“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.