SCHEMBL4887900

SCHEMBL4887900

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.56
AURKB Q96GD4 2/20 0.56
FLT3 P36888 3/20 0.43
CHEK1 O14757 2/20 0.43
SRC P12931 1/20 0.43
CDK2 P24941 1/20 0.43
KDR P35968 1/20 0.43
GSK3B P49841 1/20 0.43
MAP3K8 P41279 10/20 0.41
FGFR1 P11362 4/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PDPK1 O15530 2/20 0.36

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
SCHEMBL5189605 0.89 AURKA (0.56) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4888461 0.89 AURKA (0.56) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4507865 0.89 AURKB (0.56) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4914751 0.88 AURKA (0.59) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4512971 0.86 AURKA (0.54) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4497871 0.86 AURKA (0.54) AURKAAURKBFLT3CHEK1SRC
SCHEMBL5189691 0.86 AURKA (0.54) AURKAAURKBFLT3CHEK1SRC
SCHEMBL5954827 0.86 AURKA (0.54) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4510836 0.86 AURKA (0.53) AURKAAURKBFLT3CHEK1SRC
SCHEMBL4504808 0.85 AURKA (0.51) AURKAAURKBFLT3CHEK1SRC

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 2155/4885FLT3 809/4885

“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.