SCHEMBL5189348

SCHEMBL5189348

CCN1C(=O)C(C)(C)c2cc3[nH]c(-c4n[nH]c5ccc(NC(=O)Cc6ccccc6C)cc45)nc3cc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.51
AURKB Q96GD4 2/20 0.51
TTK P33981 2/20 0.49
PDPK1 O15530 11/20 0.45
CHEK1 O14757 2/20 0.42
SRC P12931 1/20 0.42
CDK2 P24941 1/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
GSK3B P49841 1/20 0.42
LRRK2 Q5S007 1/20 0.40
MAP3K8 P41279 1/20 0.39
ITK Q08881 1/20 0.39
MAPT P10636 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
SCHEMBL5954965 0.89 AURKA (0.55) AURKAAURKBPDPK1CHEK1SRC
SCHEMBL4897694 0.89 AURKA (0.52) AURKAAURKBPDPK1CHEK1SRC
SCHEMBL4893017 0.88 AURKA (0.47) AURKAAURKBTTKPDPK1CDK2
SCHEMBL4893240 0.87 AURKA (0.49) AURKAAURKBPDPK1FLT3
SCHEMBL5191547 0.87 AURKA (0.52) AURKAAURKBPDPK1CHEK1KDR
SCHEMBL4895975 0.86 AURKA (0.48) AURKAAURKBPDPK1CHEK1KDR
SCHEMBL4893595 0.84 AURKA (0.51) AURKAAURKBTTKPDPK1CHEK1
SCHEMBL5188936 0.84 AURKA (0.52) AURKAAURKBPDPK1CHEK1FLT3
SCHEMBL4889092 0.83 AURKA (0.49) AURKAAURKBPDPK1CHEK1LRRK2
SCHEMBL5190146 0.83 AURKA (0.55) 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 4 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
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 AURKA 2529/4885AURKB 2155/4885TTK 1905/4885

“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.