SCHEMBL14158563

SCHEMBL14158563

O=S(=O)(Nc1ccnc2[nH]cc(-c3cccc(N4CCCC4)c3)c12)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STK4 Q13043 8/20 0.51
▸ STK3 Q13188 8/20 0.51
▸ LRRK2 Q5S007 7/20 0.51
▸ CAMK2D Q13557 2/20 0.46
▸ BRAF P15056 1/20 0.44
▸ TNNI3K Q59H18 1/20 0.44
▸ ROCK1 Q13464 5/20 0.43
▸ CDC42BPB Q9Y5S2 5/20 0.43
▸ ROCK2 O75116 4/20 0.43
▸ CDC42BPA Q5VT25 2/20 0.41
▸ SLC40A1 Q9NP59 1/20 0.41
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL14242800 0.91 LRRK2 (0.45) STK4STK3LRRK2ROCK1CDC42BPB
SCHEMBL14158748 0.86 STK4 (0.45) STK4STK3LRRK2CAMK2DBRAF
SCHEMBL14157490 0.84 HTR6 (0.54) CAMK2DROCK1CDC42BPBHTR6
SCHEMBL14158779 0.83 LRRK2 (0.45) STK4STK3LRRK2CAMK2DROCK1
SCHEMBL14243488 0.83 BRAF (0.50) STK4STK3LRRK2BRAFTNNI3K
SCHEMBL14158722 0.83 LRRK2 (0.52) STK4STK3LRRK2SLC40A1
SCHEMBL14158687 0.81 STK4 (0.48) STK4STK3LRRK2BRAFTNNI3K
SCHEMBL14157434 0.81 KDM1A (0.54) STK4STK3LRRK2BRAFTNNI3K
SCHEMBL14158733 0.81 GAA (0.43) STK4STK3LRRK2ROCK1CDC42BPB
SCHEMBL14158643 0.81 ROCK1 (0.46) STK4STK3LRRK2ROCK1CDC42BPB

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-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-8877742-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY LIMITED (GB) 2014-11-04 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
US-20140155375-A1 NOVEL COMPOUNDS GlaxoSmithKline Interllectual Property Limited (GB) 2014-06-05 — — US disclosed
EP-2717694-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Limited (GB) 2014-04-16 — — EP disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — WO disclosed
WO-2012170752-A1 NOVEL COMPOUNDS GLAXO WELLCOME MANUFACTURING PTE LTD (SG) 2012-12-13 — — 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-20140155375-A1 NOVEL COMPOUNDS CYBB, NOX1, NOX4 STK4 1870/4885STK3 2523/4885LRRK2 2090/4885

“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.

Send feedback