SCHEMBL4893595

SCHEMBL4893595

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(NC(C)=O)cc45)[nH]c3cc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
PDPK1 O15530 13/20 0.47
ITK Q08881 3/20 0.45
TTK P33981 1/20 0.41
MAPK8 P45983 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CHEK1 O14757 1/20 0.40
SRC P12931 1/20 0.40
CDK2 P24941 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL5954965 0.89 AURKA (0.55) AURKAAURKBPDPK1ITKCHEK1
SCHEMBL5954827 0.89 AURKA (0.54) AURKAAURKBPDPK1CHEK1SRC
SCHEMBL4893017 0.88 AURKA (0.47) AURKAAURKBPDPK1ITKTTK
SCHEMBL5191547 0.86 AURKA (0.52) AURKAAURKBPDPK1ITKCHEK1
SCHEMBL5188936 0.86 AURKA (0.52) AURKAAURKBPDPK1ITKCHEK1
SCHEMBL4497871 0.85 AURKA (0.54) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4884402 0.85 AURKA (0.51) AURKAAURKBPDPK1CHEK1FLT3
SCHEMBL4895796 0.85 AURKA (0.51) AURKAAURKBCHEK1SRCCDK2
SCHEMBL4884451 0.85 CHEK1 (0.49) AURKAAURKBPDPK1CHEK1CDK2
SCHEMBL4510836 0.85 AURKA (0.53) AURKAAURKBCHEK1SRCCDK2

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 2155/4885PDPK1 2511/4885

“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.