SCHEMBL4664929

SCHEMBL4664929

NC(=O)c1nc(-c2ccccc2)cc2c(C3CCNCC3)c[nH]c12

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 17/20 0.65
CHUK O15111 6/20 0.65
BTK Q06187 2/20 0.50
CSF1R P07333 1/20 0.50
AURKA O14965 1/20 0.44
FLT3 P36888 1/20 0.44
CSNK1E P49674 1/20 0.44
HTR2C P28335 2/20 0.42
ADRB2 P07550 1/20 0.42
JAK2 O60674 1/20 0.41

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
SCHEMBL4666771 0.84 JAK2 (0.52) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4664932 0.83 IKBKB (0.70) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL14048291 0.81 IKBKB (0.54) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4663255 0.80 IKBKB (0.65) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4663358 0.80 IKBKB (0.43) IKBKBCHUKBTKCSF1RJAK2
SCHEMBL5011762 0.80 IKBKB (0.48) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4665017 0.79 IKBKB (0.54) IKBKBCHUKBTKCSF1RHTR2C
SCHEMBL3796938 0.79 IKBKB (1.00) IKBKBCHUKBTKCSF1RAURKA
SCHEMBL4666734 0.78 IKBKB (0.48) IKBKBCHUKBTKAURKAFLT3
SCHEMBL4688449 0.78 IKBKB (0.98) IKBKBCHUKBTKCSF1RAURKA

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 42/4885BTK 1095/4885

“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.