SCHEMBL4897694

SCHEMBL4897694

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NC(=O)Cc6ccc(C)cc6)cc45)nc3cc21

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.52
AURKB Q96GD4 2/20 0.52
KDR P35968 2/20 0.45
PDPK1 O15530 9/20 0.44
ITK Q08881 4/20 0.41
FLT3 P36888 2/20 0.40
CHEK1 O14757 1/20 0.40
SRC P12931 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
MAPT P10636 1/20 0.39
MCL1 Q07820 1/20 0.39
WNT1 P04628 2/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL4893240 0.93 AURKA (0.49) AURKAAURKBPDPK1FLT3WNT1
SCHEMBL4893017 0.90 AURKA (0.47) AURKAAURKBPDPK1ITKCDK2
SCHEMBL5954965 0.90 AURKA (0.55) AURKAAURKBKDRPDPK1ITK
SCHEMBL4895975 0.89 AURKA (0.48) AURKAAURKBKDRPDPK1ITK
SCHEMBL5189348 0.89 AURKA (0.51) AURKAAURKBKDRPDPK1ITK
SCHEMBL4893595 0.84 AURKA (0.51) AURKAAURKBKDRPDPK1ITK
SCHEMBL5188936 0.84 AURKA (0.52) AURKAAURKBPDPK1ITKFLT3
SCHEMBL5191547 0.84 AURKA (0.52) AURKAAURKBKDRPDPK1ITK
SCHEMBL4884402 0.83 AURKA (0.51) AURKAAURKBPDPK1FLT3CHEK1
SCHEMBL4889092 0.83 AURKA (0.49) AURKAAURKBPDPK1ITKCHEK1

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 2155/4885KDR 3902/4885

“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.