SCHEMBL14100240

SCHEMBL14100240

O=C(O)c1ccc(-c2ccnc(Nc3cccc(CN4CCN(CCO)CC4)c3)n2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.51
JAK3 P52333 4/20 0.51
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
SYK P43405 2/20 0.46
PDGFRB P09619 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46
IKBKB O14920 4/20 0.45
ACVR1 Q04771 1/20 0.42
CHUK O15111 2/20 0.42
IKBKG Q9Y6K9 2/20 0.42
IGF1R P08069 2/20 0.42
AKT3 Q9Y243 1/20 0.41
PLK4 O00444 1/20 0.41
MET P08581 1/20 0.41
GSK3B P49841 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
SCHEMBL14100241 0.92 JAK2 (0.61) JAK2JAK3ABL1BCRSYK
SCHEMBL14100242 0.89 JAK2 (0.60) JAK2JAK3ABL1BCRSYK
SCHEMBL12423671 0.87 JAK2 (0.45) JAK2JAK3ABL1BCRSYK
SCHEMBL12423747 0.87 JAK2 (0.46) JAK2JAK3ABL1BCRSYK
SCHEMBL12423656 0.86 JAK2 (0.51) JAK2JAK3ABL1BCRSYK
SCHEMBL14100344 0.85 ABL1 (0.49) JAK2JAK3ABL1BCRSYK
SCHEMBL14100238 0.84 JAK2 (0.50) JAK2JAK3ABL1BCRSYK
SCHEMBL14100374 0.84 KLKB1 (0.46) JAK2JAK3ABL1BCRSYK
SCHEMBL14100235 0.83 ABL1 (0.67) JAK2JAK3ABL1BCRSYK
SCHEMBL14100248 0.83 ABL1 (0.52) JAK2JAK3ABL1BCRIKBKB

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 JAK2 1688/4885JAK3 1221/4885ABL1 105/4885

“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.