SCHEMBL4945475

SCHEMBL4945475

CCN1C(=O)C(C)(C)c2cc3nc(-c4cc(C)[nH]n4)[nH]c3cc21

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.92
AURKB Q96GD4 4/20 0.92
KDR P35968 6/20 0.48
CHEK1 O14757 1/20 0.48
SRC P12931 1/20 0.48
CDK2 P24941 1/20 0.48
FLT3 P36888 1/20 0.48
GSK3B P49841 1/20 0.48
BRD4 O60885 1/20 0.36
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
METAP1 P53582 2/20 0.32
METAP2 P50579 1/20 0.32
CBFB Q13951 1/20 0.32
FGFR1 P11362 5/20 0.31
FGFR2 P21802 5/20 0.31

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
SCHEMBL4138252 0.89 AURKA (0.73) AURKAAURKBKDRCHEK1SRC
SCHEMBL4133178 0.89 AURKA (0.73) AURKAAURKBKDRCHEK1SRC
SCHEMBL4143663 0.88 AURKA (0.71) AURKAAURKBKDRCHEK1SRC
SCHEMBL5315926 0.88 AURKA (0.71) AURKAAURKBKDRCHEK1SRC
SCHEMBL4130136 0.87 AURKA (0.71) AURKAAURKBKDRCHEK1SRC
SCHEMBL5618895 0.87 AURKA (0.70) AURKAAURKBKDRCHEK1SRC
SCHEMBL4143677 0.87 AURKA (0.73) AURKAAURKBKDRCHEK1SRC
SCHEMBL4130252 0.86 AURKA (0.69) AURKAAURKBKDRCHEK1SRC
SCHEMBL5618967 0.85 AURKA (0.68) AURKAAURKBKDRCHEK1SRC
SCHEMBL4133143 0.84 AURKA (0.79) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008514565-A 2008-05-08 JP claimed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP claimed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO claimed
US-7285569-B2 Tricycles, their manufacture and use as pharmaceutical agents HOFF HOFFMANN-LA ROCHE INC. (US) 2007-10-23 US disclosed
EP-1793822-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-13 EP disclosed
US-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2006-03-30 US disclosed
WO-2006032519-A1 TRICYCLES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 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-20060069145-A1 Tricycles, their manufacture and use as pharmaceutical agents ABCB1, CYP3A43, CYP3A5 AURKA 1724/4885AURKB 1606/4885KDR 4038/4885

“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.