SCHEMBL4897206

SCHEMBL4897206

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.50
AURKA O14965 3/20 0.49
AURKB Q96GD4 3/20 0.49
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
BRD4 O60885 2/20 0.42
CHEK2 O96017 1/20 0.41
ESR1 P03372 1/20 0.39
FLT3 P36888 3/20 0.39
POLB P06746 1/20 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 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4893770 0.92 ITK (0.52) ITKAURKAAURKBMAPTSMN1; SMN2
SCHEMBL4892853 0.91 AURKA (0.51) ITKAURKAAURKBBRD4ESR1
SCHEMBL4888848 0.91 AURKA (0.52) ITKAURKAAURKBMAPTSMN1; SMN2
SCHEMBL5954211 0.87 AURKA (0.51) ITKAURKAAURKBFLT3CHEK1
SCHEMBL5954782 0.86 AURKA (0.49) ITKAURKAAURKBMAPTSMN1; SMN2
SCHEMBL5954138 0.85 AURKA (0.52) ITKAURKAAURKBFLT3CHEK1
SCHEMBL4895079 0.83 AURKA (0.47) ITKAURKAAURKBSMN1; SMN2FLT3
SCHEMBL4890270 0.82 AURKA (0.46) ITKAURKAAURKBBRD4FLT3
SCHEMBL4895975 0.81 AURKA (0.48) ITKAURKAAURKBFLT3CHEK1
SCHEMBL5954682 0.81 AURKA (0.45) ITKAURKAAURKBBRD4FLT3

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 ITK 1964/4885AURKA 2529/4885AURKB 2155/4885

“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.