SCHEMBL4883856

SCHEMBL4883856

CC1(C)C(=O)N(CC2CC2)c2cc3[nH]c(-c4n[nH]c5ccccc45)nc3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 9/20 0.47
FLT1 P17948 9/20 0.47
AURKA O14965 3/20 0.46
AURKB Q96GD4 3/20 0.46
CHEK1 O14757 3/20 0.44
PDPK1 O15530 3/20 0.44
ITK Q08881 2/20 0.44
ABL1 P00519 2/20 0.44
SRC P12931 2/20 0.44
CDK2 P24941 2/20 0.44
KDR P35968 2/20 0.44
FLT3 P36888 2/20 0.44
GSK3B P49841 2/20 0.44
PLK4 O00444 1/20 0.44
CHUK O15111 1/20 0.44
JAK2 O60674 1/20 0.44
ROCK2 O75116 1/20 0.44
MAP4K4 O95819 1/20 0.44
PAK4 O96013 1/20 0.44
CHEK2 O96017 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
SCHEMBL4914751 0.88 AURKA (0.59) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL4894195 0.86 AURKA (0.50) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL4880127 0.85 AURKA (0.47) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL5954198 0.85 AURKA (0.47) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL5206137 0.85 ITK (0.47) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL5191758 0.85 FGFR1 (0.48) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL4896780 0.85 ITK (0.47) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL4893538 0.85 AURKA (0.46) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL4882737 0.85 AURKA (0.46) FGFR1FLT1AURKAAURKBCHEK1
SCHEMBL5954185 0.84 AURKA (0.44) FGFR1FLT1AURKAAURKBCHEK1

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 5 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-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 (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 FGFR1 2228/4885FLT1 4208/4885AURKA 2529/4885

“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.