SCHEMBL4596333

SCHEMBL4596333

O=C1CCNc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 10/20 0.68
▸ TDP2 O95551 1/20 0.48
▸ BRD9 Q9H8M2 1/20 0.45
▸ PDE3B Q13370 2/20 0.42
▸ PDE3A Q14432 2/20 0.42
▸ GRM2 Q14416 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PARP10 Q53GL7 2/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PARP11 Q9NR21 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
SCHEMBL4595139 0.85 KIF11 (0.62) KIF11TDP2PDE3BPDE3AGRM2
SCHEMBL4596884 0.84 KIF11 (0.59) KIF11TDP2BRD9PDE3BPDE3A
SCHEMBL2632664 0.82 KIF11 (0.54) KIF11TDP2PARP10PARP1SMN1; SMN2
SCHEMBL1396616 0.81 KIF11 (1.00) KIF11TDP2PDE3BPDE3ANPC1
SCHEMBL3307653 0.81 KIF11 (0.78) KIF11TDP2NPC1
SCHEMBL4596305 0.79 KIF11 (0.62) KIF11TDP2PDE3BPDE3AGRM2
SCHEMBL2676020 0.77 KIF11 (0.63) KIF11TDP2KDM4EMEN1NPC1
SCHEMBL4888035 0.77 KIF11 (0.86) KIF11TDP2PDE3BPDE3AMAPT
SCHEMBL4888861 0.77 KIF11 (0.86) KIF11TDP2PDE3BPDE3ACYP11B1
SCHEMBL4596143 0.76 KIF11 (0.66) KIF11TDP2PDE3BPDE3AGRM2

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 562/4885TDP2 1033/4885BRD9 3396/4885

“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.

Send feedback