SCHEMBL4663350

SCHEMBL4663350

NC(=O)c1cc(-c2ccccc2)nc2c(C3CCN(C(=O)c4ccccc4)CC3)c[nH]c12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.51
ACACA Q13085 4/20 0.51
IKBKB O14920 14/20 0.49
CHUK O15111 5/20 0.49
AURKA O14965 1/20 0.47
FLT3 P36888 1/20 0.47
CSNK1E P49674 1/20 0.47
BTK Q06187 1/20 0.47
HTR2B P41595 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43

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
SCHEMBL4663255 0.84 IKBKB (0.65) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4665059 0.84 IKBKB (0.70) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4666771 0.83 JAK2 (0.52) ACACBACACAIKBKBCHUKAURKA
SCHEMBL4663282 0.82 HTR2B (0.44) ACACBACACAIKBKBCHUKHTR2B
SCHEMBL14030623 0.82 IKBKB (0.47) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL6969942 0.71 MAP3K12 (0.60) ACACBACACAHTR2B
SCHEMBL3389167 0.71 JAK2 (0.49) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL13284192 0.70 HDAC1 (0.47)
SCHEMBL141661 0.70 JAK2 (0.62)
SCHEMBL142578 0.70 JAK2 (0.62)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US claimed
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 ACACB 1271/4885ACACA 1715/4885IKBKB 16/4885

“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.