SCHEMBL4893574

SCHEMBL4893574

CCNC(=O)c1ccc2c(-c3nc4cc5c(cc4[nH]3)N(CC)C(=O)C5(C)C)n[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.51
AURKB Q96GD4 1/20 0.51
CHEK1 O14757 15/20 0.46
CDK1 P06493 1/20 0.43
FLT3 P36888 2/20 0.42
CDK4 P11802 2/20 0.41
CCNA2 P20248 2/20 0.41
CCND1 P24385 2/20 0.41
CDK2 P24941 2/20 0.41
CCND3 P30281 2/20 0.41

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
SCHEMBL5194410 0.93 AURKA (0.51) AURKAAURKBFLT3
SCHEMBL4892860 0.91 CHEK1 (0.49) AURKAAURKBCHEK1CDK1FLT3
SCHEMBL4500435 0.90 AURKA (0.54) AURKAAURKBCHEK1CDK1FLT3
SCHEMBL4889244 0.89 CHEK1 (0.55) AURKAAURKBCHEK1CDK1FLT3
SCHEMBL4912209 0.89 CHEK1 (0.57) AURKAAURKBCHEK1CDK1
SCHEMBL4501920 0.86 AURKA (0.48) AURKAAURKBFLT3CDK2
SCHEMBL4893852 0.86 FLT3 (0.49) AURKAAURKBFLT3
SCHEMBL4508728 0.85 CDK2 (0.51) AURKAAURKBCHEK1FLT3CDK4
SCHEMBL4501953 0.85 CDK2 (0.51) AURKAAURKBCHEK1FLT3CDK4
SCHEMBL4897392 0.85 MAPK3 (0.51) AURKAAURKBFLT3CDK2

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 2155/4885CHEK1 531/4885

“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.