SCHEMBL14100342

SCHEMBL14100342

COc1cccc(CCNC(=O)c2ccc(-c3ccnc(Nc4cccc(CN5CCN(CCO)CC5)c4)n3)s2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 8/20 0.51
JAK2 O60674 4/20 0.44
JAK3 P52333 4/20 0.44
SYK P43405 5/20 0.43
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
DAPK3 O43293 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 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
SCHEMBL14100336 0.94 AKT3 (0.53) AKT3JAK2JAK3SYKABL1
SCHEMBL14100374 0.93 KLKB1 (0.46) AKT3JAK2JAK3SYKABL1
SCHEMBL14100344 0.90 ABL1 (0.49) JAK2JAK3SYKABL1BCR
SCHEMBL14100299 0.88 AKT3 (0.51) AKT3JAK2JAK3SYKABL1
SCHEMBL14100505 0.87 KLKB1 (0.46) AKT3JAK2JAK3SYKABL1
SCHEMBL14100366 0.87 JAK2 (0.52) AKT3JAK2JAK3SYKABL1
SCHEMBL14100218 0.87 AKT3 (0.50) AKT3SYKIKBKBCHUKRET
SCHEMBL14100281 0.87 SYK (0.53) AKT3JAK2JAK3SYKABL1
SCHEMBL14100217 0.86 AKT3 (0.53) AKT3SYKIKBKBCHUKRET
SCHEMBL14100205 0.84 AKT3 (0.45) AKT3SYKABL1BCRIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
US-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. SMITHKLINE BEECHAM CORPORATION 2008-08-14 US disclosed
WO-2007018941-A2 PYRIMIDYL-THIOPHENE DERIVATIVES SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 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-20080194561-A1 carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. AURKA, AURKC, AURKB AKT3 3904/4885JAK2 1688/4885JAK3 1221/4885

“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.