SCHEMBL4596129

SCHEMBL4596129

O=C1COc2cc(-c3ccc(C(F)(F)F)cc3)cnc2N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
TDP2 O95551 1/20 0.41
MAP4K4 O95819 2/20 0.41
CHEK1 O14757 1/20 0.41
AURKA O14965 1/20 0.41
DAPK3 O43293 1/20 0.41
PRKD3 O94806 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
PIM1 P11309 1/20 0.41
FGFR1 P11362 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT1 P17948 1/20 0.41
LTK P29376 1/20 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
SCHEMBL14674290 0.83 DYRK1A (0.43) TDP2MAP4K4CHEK1AURKADAPK3
SCHEMBL4891646 0.80 KIF11 (0.62) KIF11CA12CA9TDP2MAP4K4
SCHEMBL1396298 0.79 ABL1 (0.67) KIF11CA12CA9TDP2MAP4K4
SCHEMBL4596430 0.79 KIF11 (0.59) KIF11TDP2CYP11B1CYP11B2NR3C2
SCHEMBL19421712 0.73 PARP1 (0.43) MAP4K4CHEK1AURKADAPK3PRKD3
SCHEMBL15979057 0.73 NR3C2 (0.39) CYP11B1CYP11B2NR3C2NR3C1KCNH2
SCHEMBL13658043 0.72 TRPV1 (0.40) CYP11B1CYP11B2NR3C2
SCHEMBL732119 0.72 PIK3CA (0.55) PIM1MAP2K2MAP2K1DYRK1ACYP11B1
SCHEMBL15345045 0.72 MMP12 (0.46) ABL1CYP11B1CYP11B2NR3C2NR3C1
SCHEMBL10559292 0.72 CYP1A2 (0.41) MAP4K4CHEK1AURKADAPK3PRKD3

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
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US claimed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 KIF11 562/4885CA12 1836/4885CA9 2775/4885

“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.