SCHEMBL4897619

SCHEMBL4897619

O=C1CCc2cc(-c3ccc(C(F)(F)F)c(-n4cccc4)c3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.61
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
PDE3B Q13370 3/20 0.48
PDE3A Q14432 3/20 0.48
CYP1A2 P05177 2/20 0.48
TBXAS1 P24557 2/20 0.48
CYP2C9 P11712 2/20 0.48
DRD2 P14416 1/20 0.43
CRBN Q96SW2 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
ULK1 O75385 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL3310186 0.80 KIF11 (0.70) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4888989 0.79 KIF11 (0.68) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4890959 0.79 KIF11 (0.68) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL1396616 0.76 KIF11 (1.00) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4889044 0.76 KIF11 (0.68) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL3312695 0.76 KIF11 (0.68) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4900111 0.75 KIF11 (0.60) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4596372 0.75 KIF11 (0.62) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL3315694 0.75 KIF11 (0.79) KIF11CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL4897861 0.73 KIF11 (0.72) KIF11CYP11B1CYP11B2PDE3BPDE3A

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 3 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

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 562/4885CYP11B1 780/4885CYP11B2 1046/4885

“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.