SCHEMBL4666771

SCHEMBL4666771

NC(=O)c1nc(-c2ccccc2)cc2c(C3CCN(C(=O)c4ccccc4)CC3)c[nH]c12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.52
ACACB O00763 4/20 0.51
ACACA Q13085 4/20 0.51
IKBKB O14920 13/20 0.49
CHUK O15111 5/20 0.49
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
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

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
SCHEMBL5011762 0.84 IKBKB (0.48) IKBKBCHUKAURKAFLT3CSNK1E
SCHEMBL4664929 0.84 IKBKB (0.65) JAK2IKBKBCHUKAURKAFLT3
SCHEMBL4664932 0.84 IKBKB (0.70) JAK2IKBKBCHUKAURKAFLT3
SCHEMBL4663350 0.83 ACACB (0.51) ACACBACACAIKBKBCHUKNOS3
SCHEMBL4663282 0.82 HTR2B (0.44) ACACBACACAIKBKBCHUKNOS3
SCHEMBL4666734 0.82 IKBKB (0.48) JAK2IKBKBCHUKAURKAFLT3
SCHEMBL14048291 0.82 IKBKB (0.54) JAK2IKBKBCHUKAURKAFLT3
SCHEMBL16801703 0.72 KDM4E (0.72) NOS3NOS1HTR2B
SCHEMBL6969942 0.71 MAP3K12 (0.60) ACACBACACAHTR2B
SCHEMBL1720512 0.71 MEN1 (0.53) ACACBACACANOS3NOS1HTR2B

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 JAK2 94/4885ACACB 1271/4885ACACA 1715/4885

“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.