SCHEMBL14100239

SCHEMBL14100239

O=C(O)c1ccc(-c2ccnc(Nc3ccc(CCCN4CCN(CCO)CC4)cc3)n2)s1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 7/20 0.47
CHUK O15111 6/20 0.47
IKBKG Q9Y6K9 5/20 0.47
AKT3 Q9Y243 6/20 0.46
RET P07949 2/20 0.44
SYK P43405 1/20 0.42
ABL1 P00519 1/20 0.42
BCR P11274 1/20 0.42
JAK2 O60674 1/20 0.40
ACVR1 Q04771 1/20 0.40
IGF1R P08069 1/20 0.39

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
SCHEMBL12423205 0.85 IKBKB (0.52) IKBKBCHUKIKBKGAKT3SYK
SCHEMBL14100298 0.83 AKT3 (0.46) IKBKBCHUKIKBKGAKT3RET
SCHEMBL14100238 0.82 JAK2 (0.50) IKBKBCHUKIKBKGAKT3RET
SCHEMBL14100295 0.82 KDM4E (0.45) IKBKBCHUKIKBKGAKT3SYK
SCHEMBL14100240 0.82 JAK2 (0.51) IKBKBCHUKIKBKGAKT3SYK
SCHEMBL14100237 0.80 ABL1 (0.60) IKBKBAKT3SYKABL1BCR
SCHEMBL14100218 0.77 AKT3 (0.50) IKBKBCHUKIKBKGAKT3RET
SCHEMBL14100192 0.77 ABL1 (0.47) IKBKBCHUKIKBKGAKT3RET
SCHEMBL14100205 0.76 AKT3 (0.45) IKBKBCHUKIKBKGAKT3RET
SCHEMBL5069822 0.75 IKBKB (0.54) IKBKBCHUKIKBKGAKT3JAK2

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 IKBKB 1501/4885CHUK 1044/4885IKBKG 2363/4885

“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.