SCHEMBL4493829

SCHEMBL4493829

CCN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5cc(Br)ccc45)[nH]c3cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.56
AURKB Q96GD4 3/20 0.56
CHEK1 O14757 7/20 0.43
FLT3 P36888 3/20 0.43
CDK2 P24941 3/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
GSK3B P49841 2/20 0.43
FGFR1 P11362 4/20 0.41
CLK4 Q9HAZ1 2/20 0.41
MAP3K8 P41279 2/20 0.41
PDPK1 O15530 2/20 0.41
JAK2 O60674 4/20 0.39
TYK2 P29597 4/20 0.39
JAK3 P52333 4/20 0.39
JAK1 P23458 3/20 0.39
CDK4 P11802 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CCND3 P30281 1/20 0.39

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
SCHEMBL4507865 0.93 AURKB (0.56) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4914751 0.88 AURKA (0.59) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4506484 0.86 AURKA (0.54) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4500435 0.86 AURKA (0.54) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4889244 0.86 CHEK1 (0.55) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4508446 0.86 CHEK1 (0.53) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4504819 0.85 AURKA (0.52) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4503155 0.84 AURKA (0.51) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4507275 0.84 AURKA (0.51) AURKAAURKBCHEK1FLT3CDK2
SCHEMBL4505475 0.84 AURKA (0.54) AURKAAURKBCHEK1FLT3CDK2

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 8 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
US-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS GEORGES GUY 2009-11-26 US disclosed
EP-2001882-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-La Roche AG (CH) 2008-12-17 EP disclosed
WO-2007107346-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20060142247-A1 Tricyclic heterocycles HOFFMANN-LA ROCHE INC. 2006-06-29 US 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 (2 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-20090291968-A1 SUBSTITUTED INDAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS CYP3A43, CYP3A5, CYP3A7 AURKA 1558/4885AURKB 2087/4885CHEK1 1412/4885
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.