SCHEMBL4893591

SCHEMBL4893591

COc1cc(CNC(=O)CN2C(=O)C(C)(C)c3cc4nc(-c5n[nH]c6ccccc56)[nH]c4cc32)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.40
AURKB Q96GD4 2/20 0.40
FLT3 P36888 3/20 0.39
ITK Q08881 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FGFR1 P11362 5/20 0.39
FLT1 P17948 5/20 0.39
ALDH1A1 P00352 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
CHEK1 O14757 3/20 0.38
PDPK1 O15530 2/20 0.38
PLK4 O00444 1/20 0.38
CHUK O15111 1/20 0.38
JAK2 O60674 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
CHEK2 O96017 1/20 0.38
ABL1 P00519 1/20 0.38

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
SCHEMBL5954096 0.91 ITGB3 (0.44) AURKAAURKBFLT3ITKFGFR1
SCHEMBL4888758 0.88 ITGB3 (0.42) AURKAAURKBFLT3ITKFGFR1
SCHEMBL4889015 0.88 AURKA (0.43) AURKAAURKBFLT3ITKFGFR1
SCHEMBL5189501 0.87 ITK (0.45) AURKAAURKBFLT3ITKFGFR1
SCHEMBL5954696 0.87 TSHR (0.41) AURKAAURKBITKSMN1; SMN2FGFR1
SCHEMBL4894368 0.85 TP53 (0.45) AURKAAURKBFLT3ITKFGFR1
SCHEMBL4889880 0.85 AURKA (0.41) AURKAAURKBFLT3ITKFGFR1
SCHEMBL4134941 0.85 AURKA (0.58) AURKAAURKBFLT3FGFR1ITGB3
SCHEMBL4942129 0.84 AURKA (0.40) AURKAAURKBFLT3ITKFGFR1
SCHEMBL4890073 0.84 CHEK1 (0.51) AURKAAURKBFLT3ITKFGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008524151-A 2008-07-10 JP claimed
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN 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
CN-101080408-A Trycyclic heterocycles, their manufacture and use as pharmaceutical agents HOFFMANN LA ROCHE (CH) 2007-11-28 CN disclosed
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 2155/4885FLT3 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.