SCHEMBL4893017

SCHEMBL4893017

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(NC(=O)Cc6ccccc6)cc45)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.47
AURKB Q96GD4 1/20 0.47
PDPK1 O15530 7/20 0.46
WNT1 P04628 3/20 0.46
TGFBR1 P36897 1/20 0.46
TTK P33981 1/20 0.46
CDK2 P24941 1/20 0.44
ITK Q08881 1/20 0.42
CLK2 P49760 2/20 0.42
CLK3 P49761 2/20 0.42
DYRK1A Q13627 2/20 0.42
NPY5R Q15761 1/20 0.40

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
SCHEMBL4897694 0.90 AURKA (0.52) AURKAAURKBPDPK1WNT1TGFBR1
SCHEMBL4893240 0.90 AURKA (0.49) AURKAAURKBPDPK1WNT1TGFBR1
SCHEMBL4893595 0.88 AURKA (0.51) AURKAAURKBPDPK1TTKCDK2
SCHEMBL5189348 0.88 AURKA (0.51) AURKAAURKBPDPK1TTKCDK2
SCHEMBL5954965 0.88 AURKA (0.55) AURKAAURKBPDPK1WNT1TGFBR1
SCHEMBL4895975 0.87 AURKA (0.48) AURKAAURKBPDPK1ITK
SCHEMBL5191547 0.86 AURKA (0.52) AURKAAURKBPDPK1ITK
SCHEMBL4889092 0.86 AURKA (0.49) AURKAAURKBPDPK1ITK
SCHEMBL5190146 0.86 AURKA (0.55) AURKAAURKBPDPK1CDK2ITK
SCHEMBL4884451 0.85 CHEK1 (0.49) AURKAAURKBPDPK1CDK2

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-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
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 2155/4885PDPK1 2511/4885

“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.