SCHEMBL5265774

SCHEMBL5265774

COc1ccc2nccc(C#CC3(O)CCC(NC(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.41
MAP4K4 O95819 2/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
CFTR P13569 1/20 0.34
CYP8B1 Q9UNU6 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL3956506 0.81 MAP4K4 (0.39) MAP4K4JAK2JAK1CFTRCYP8B1
SCHEMBL5264658 0.79 KCNH2 (0.47) KCNH2MTNR1AMTNR1B
SCHEMBL17861337 0.79 CKS1B (0.48) KCNH2MAP4K4JAK2JAK1CKS1B
SCHEMBL1148209 0.78 KCNH2 (0.39) KCNH2
SCHEMBL1148210 0.78 KCNH2 (0.39) KCNH2
SCHEMBL1148213 0.78 KCNH2 (0.39) KCNH2
SCHEMBL592642 0.75 PTPN11 (0.42) KCNH2MTNR1AMTNR1B
SCHEMBL1224773 0.75 MAP4K4 (0.51) KCNH2MAP4K4CKS1BSKP1SKP2
SCHEMBL2537063 0.75 JAK1 (0.40) KCNH2MAP4K4JAK2JAK1CKS1B
SCHEMBL5636821 0.75 KCNH2 (0.57) KCNH2MAP4K4JAK2JAK1

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
EP-1399443-B1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2007-12-12 EP disclosed
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. 2007-06-14 US disclosed
US-7141564-B2 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2006-11-28 US disclosed
US-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-09-02 US disclosed
EP-1399443-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2004-03-24 EP disclosed
WO-2003087098-A1 NITROGEN-CONTAINING BICYCLIC HETEROCYCLES FOR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2003-10-23 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 (2 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-20040171620-A1 Nitrogen-containing bicyclic heterocycles for use as antibacterials NRDC, NUCB2, NDC1 KCNH2 3311/4885MAP4K4 3423/4885JAK2 4489/4885
US-20070135422-A1 Nitrogen-containing bicycle heterocycles for use as antibacterials NRDC, NUCB2, NISCH KCNH2 2699/4885MAP4K4 2797/4885JAK2 4016/4885

“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.