SCHEMBL4884451

SCHEMBL4884451

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccc(C(=O)Nc6ccccc6)cc45)[nH]c3cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 10/20 0.49
AURKA O14965 1/20 0.48
AURKB Q96GD4 1/20 0.48
PAK4 O96013 2/20 0.47
CDK2 P24941 1/20 0.47
PDPK1 O15530 2/20 0.46
CDK1 P06493 1/20 0.46
FLT3 P36888 3/20 0.45
KDR P35968 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44

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
SCHEMBL4912209 0.94 CHEK1 (0.57) CHEK1AURKAAURKBCDK1KDR
SCHEMBL4897392 0.90 MAPK3 (0.51) AURKAAURKBPAK4CDK2FLT3
SCHEMBL5191547 0.89 AURKA (0.52) CHEK1AURKAAURKBPDPK1CDK1
SCHEMBL5194410 0.89 AURKA (0.51) AURKAAURKBFLT3
SCHEMBL4497871 0.89 AURKA (0.54) CHEK1AURKAAURKBPAK4CDK2
SCHEMBL5954827 0.87 AURKA (0.54) CHEK1AURKAAURKBPAK4CDK2
SCHEMBL4895796 0.86 AURKA (0.51) CHEK1AURKAAURKBPAK4CDK2
SCHEMBL4510836 0.86 AURKA (0.53) CHEK1AURKAAURKBPAK4CDK2
SCHEMBL4501920 0.86 AURKA (0.48) AURKAAURKBPAK4CDK2FLT3
SCHEMBL4893852 0.86 FLT3 (0.49) AURKAAURKBFLT3

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 CHEK1 531/4885AURKA 2529/4885AURKB 2155/4885

“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.