SCHEMBL4895191

SCHEMBL4895191

CCOC(=O)CN1C(=O)C(C)(C)c2cc3nc(-c4n[nH]c5ccccc45)[nH]c3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
AURKA O14965 4/20 0.47
AURKB Q96GD4 4/20 0.47
ITK Q08881 2/20 0.43
FGFR1 P11362 8/20 0.41
FLT1 P17948 8/20 0.41
JAK2 O60674 4/20 0.41
JAK3 P52333 4/20 0.41
CHEK1 O14757 4/20 0.41
KDR P35968 3/20 0.41
FLT3 P36888 3/20 0.41
GSK3B P49841 3/20 0.41
CDK2 P24941 3/20 0.41
TYK2 P29597 3/20 0.41
MAP4K4 O95819 2/20 0.41
PAK4 O96013 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
RET P07949 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
SCHEMBL4896780 0.89 ITK (0.47) AURKAAURKBITKFGFR1FLT1
SCHEMBL4880110 0.88 ITK (0.46) AURKAAURKBITKFGFR1FLT1
SCHEMBL4914751 0.87 AURKA (0.59) AURKAAURKBITKFGFR1FLT1
SCHEMBL5189501 0.86 ITK (0.45) MAPTAURKAAURKBITKFGFR1
SCHEMBL4889015 0.86 AURKA (0.43) AURKAAURKBITKFGFR1FLT1
SCHEMBL4891211 0.85 ITK (0.45) AURKAAURKBITKFGFR1FLT1
SCHEMBL4894195 0.85 AURKA (0.50) AURKAAURKBITKFGFR1FLT1
SCHEMBL27705105 0.85 AURKA (0.45) AURKAAURKBITKFGFR1FLT1
SCHEMBL4894368 0.85 TP53 (0.45) MAPTAURKAAURKBITKFGFR1
SCHEMBL5206137 0.84 ITK (0.47) AURKAAURKBITKFGFR1FLT1

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 ALDH1A1 230/4885MAPT 4241/4885AURKA 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.