SCHEMBL4894914

SCHEMBL4894914

CC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NS(=O)(=O)c6ccccc6S(C)(=O)=O)cc45)nc3cc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITK Q08881 4/20 0.40
PDPK1 O15530 10/20 0.39
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
ABL1 P00519 2/20 0.36
BCR P11274 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
PAK4 O96013 1/20 0.34
CDK2 P24941 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL4890225 0.90 ITK (0.40) ITKPDPK1AURKAAURKBABL1
SCHEMBL5954138 0.88 AURKA (0.52) ITKPDPK1AURKAAURKBABL1
SCHEMBL4892877 0.86 ITK (0.49) ITKPDPK1AURKAAURKB
SCHEMBL4895079 0.80 AURKA (0.47) ITKPDPK1AURKAAURKBABL1
SCHEMBL5189724 0.79 AURKA (0.43) PDPK1AURKAAURKBFGFR1FLT1
SCHEMBL4003411 0.79 PDPK1 (0.59) ITKPDPK1AURKAAURKBABL1
SCHEMBL4888848 0.78 AURKA (0.52) ITKPDPK1AURKAAURKBABL1
SCHEMBL4886259 0.78 FGFR1 (0.48) ITKPDPK1AURKAAURKBABL1
SCHEMBL5192185 0.77 MAPT (0.43) AURKAAURKBFGFR1
SCHEMBL4890270 0.77 AURKA (0.46) ITKPDPK1AURKAAURKBCDK2

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 7 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
EP-1831224-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US disclosed
WO-2006063841-A2 TRYCYCLIC HETEROCYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 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-20060142247-A1 Tricyclic heterocycles CYP11B1, CYP11B2, CYP3A43 ITK 1964/4885PDPK1 2511/4885AURKA 2529/4885

“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.