SCHEMBL4892853

SCHEMBL4892853

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NS(=O)(=O)c6ccc(F)cc6)cc45)nc3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.51
AURKB Q96GD4 3/20 0.51
ITK Q08881 5/20 0.49
FLT3 P36888 2/20 0.38
CHEK1 O14757 1/20 0.38
SRC P12931 1/20 0.38
CDK2 P24941 1/20 0.38
KDR P35968 1/20 0.38
GSK3B P49841 1/20 0.38
PDPK1 O15530 3/20 0.38
MAPK1 P28482 1/20 0.38
MAP3K8 P41279 1/20 0.37
POLB P06746 1/20 0.37
HSPD1 P10809 1/20 0.37
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN5 P54829 1/20 0.37
HSPE1 P61604 1/20 0.37
MAP2K4 P45985 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL4888848 0.92 AURKA (0.52) AURKAAURKBITKFLT3CHEK1
SCHEMBL4897206 0.91 ITK (0.50) AURKAAURKBITKFLT3CHEK1
SCHEMBL5954211 0.88 AURKA (0.51) AURKAAURKBITKFLT3CHEK1
SCHEMBL4892877 0.88 ITK (0.49) AURKAAURKBITKFLT3PDPK1
SCHEMBL5954782 0.88 AURKA (0.49) AURKAAURKBITKFLT3CHEK1
SCHEMBL5954682 0.88 AURKA (0.45) AURKAAURKBITKFLT3CHEK1
SCHEMBL4893770 0.86 ITK (0.52) AURKAAURKBITKFLT3CHEK1
SCHEMBL5954138 0.86 AURKA (0.52) AURKAAURKBITKFLT3CHEK1
SCHEMBL4884402 0.85 AURKA (0.51) AURKAAURKBFLT3CHEK1PDPK1
SCHEMBL4890270 0.85 AURKA (0.46) AURKAAURKBITKFLT3CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A 2008-07-10 JP claimed
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US claimed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO claimed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 AURKA 2529/4885AURKB 2155/4885ITK 1964/4885

“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.