SCHEMBL5954782

SCHEMBL5954782

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NS(=O)(=O)c6cccc(Cl)c6)cc45)nc3cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 7/20 0.49
AURKB Q96GD4 6/20 0.49
ITK Q08881 3/20 0.42
BRD4 O60885 1/20 0.42
PDPK1 O15530 2/20 0.38
CHEK1 O14757 1/20 0.37
SRC P12931 1/20 0.37
CDK2 P24941 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
GSK3B P49841 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR6 P50406 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR1F P30939 1/20 0.37
HTR7 P34969 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
SCHEMBL5954211 0.92 AURKA (0.51) AURKAAURKBITKPDPK1CHEK1
SCHEMBL4888848 0.92 AURKA (0.52) AURKAAURKBITKPDPK1CHEK1
SCHEMBL4893770 0.90 ITK (0.52) AURKAAURKBITKBRD4CHEK1
SCHEMBL4892853 0.88 AURKA (0.51) AURKAAURKBITKBRD4PDPK1
SCHEMBL4897206 0.86 ITK (0.50) AURKAAURKBITKBRD4PDPK1
SCHEMBL5954138 0.85 AURKA (0.52) AURKAAURKBITKPDPK1CHEK1
SCHEMBL4895079 0.82 AURKA (0.47) AURKAAURKBITKPDPK1CHEK1
SCHEMBL5954682 0.81 AURKA (0.45) AURKAAURKBITKBRD4PDPK1
SCHEMBL4890270 0.81 AURKA (0.46) AURKAAURKBITKBRD4PDPK1
SCHEMBL4887900 0.81 AURKA (0.56) AURKAAURKBPDPK1CHEK1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US 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.