SCHEMBL4946007

SCHEMBL4946007

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5c4CN(Cc4ccccc4)CC5)[nH]c3cc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
AURKB Q96GD4 2/20 0.49
KDR P35968 2/20 0.41
CHEK1 O14757 1/20 0.41
SRC P12931 1/20 0.41
CDK2 P24941 1/20 0.41
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
JAK2 O60674 1/20 0.39
TYK2 P29597 1/20 0.39
CLPP Q16740 4/20 0.39
ACHE P22303 3/20 0.38
GABRA1 P14867 1/20 0.37
GABRA2 P47869 1/20 0.37
FGFR1 P11362 1/20 0.37
FLT1 P17948 1/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL4943724 0.94 AURKA (0.50) AURKAAURKBKDRCHEK1SRC
SCHEMBL4946028 0.81 AURKA (0.61) AURKAAURKBKDRCHEK1SRC
SCHEMBL4948192 0.81 AURKA (0.58) AURKAAURKBKDRCHEK1SRC
SCHEMBL4948961 0.80 AURKA (0.53) AURKAAURKBKDRCHEK1SRC
SCHEMBL4948594 0.79 AURKA (0.55) AURKAAURKBKDRCHEK1SRC
SCHEMBL4947379 0.79 AURKA (0.55) AURKAAURKBKDRCHEK1SRC
SCHEMBL4948188 0.79 AURKA (0.45) AURKAAURKBKDRCHEK1SRC
SCHEMBL4948420 0.79 AURKA (0.46) AURKAAURKBKDRCHEK1SRC
SCHEMBL4947070 0.79 AURKA (0.46) AURKAAURKBKDRCHEK1SRC
SCHEMBL4943746 0.79 AURKA (0.55) AURKAAURKBKDRCHEK1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP claimed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 US claimed
EP-1885725-B1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2008-09-24 EP disclosed
EP-1885725-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F.HOFFMANN-LA ROCHE AG (CH) 2008-02-13 EP disclosed
WO-2006108488-A1 TRICYCLIC AZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 WO disclosed
US-20060235013-A1 Tricyclic azole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-10-19 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-20060235013-A1 Tricyclic azole derivatives CYP3A5, CYP3A43, CYP11B1 AURKA 1207/4885AURKB 1249/4885KDR 3082/4885

“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.