SCHEMBL4596463

SCHEMBL4596463

O=C1CCCc2cc(-c3ccc(C(F)(F)F)c(F)c3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 14/20 0.59
GSK3B P49841 1/20 0.46
PTGS2 P35354 2/20 0.44
PTGS1 P23219 1/20 0.44
MAPT P10636 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TBXAS1 P24557 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PTK2B Q14289 1/20 0.43

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
SCHEMBL3310186 0.92 KIF11 (0.70) KIF11MAPTCYP1A2CYP2C9CYP11B1
SCHEMBL4888035 0.82 KIF11 (0.86) KIF11GSK3BMAPTCYP1A2CYP2C9
SCHEMBL4897861 0.80 KIF11 (0.72) KIF11MAPTCYP1A2CYP2C9CYP11B1
SCHEMBL4888861 0.80 KIF11 (0.86) KIF11GSK3BCYP1A2CYP2C9CYP11B1
SCHEMBL4896533 0.78 KIF11 (0.51) KIF11GSK3BMAPTCYP1A2CYP2C9
SCHEMBL4595128 0.77 KIF11 (0.50) KIF11PTGS2PTGS1CYP11B1CYP11B2
SCHEMBL4888989 0.77 KIF11 (0.68) KIF11MAPTCYP1A2CYP2C9CYP11B1
SCHEMBL4890959 0.77 KIF11 (0.68) KIF11MAPTCYP1A2CYP2C9CYP11B1
SCHEMBL9024780 0.76 KIF11 (0.67) KIF11MAPT
SCHEMBL4897585 0.75 KIF11 (0.58) KIF11GSK3BMAPTCYP1A2CYP2C9

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
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP claimed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 WO 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

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 562/4885GSK3B 1444/4885PTGS2 2988/4885

“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.