SCHEMBL4596305

SCHEMBL4596305

O=C1CNc2ccc(-c3ccc(C(F)(F)F)cc3)cc2N1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 9/20 0.62
▸ TDP2 O95551 2/20 0.50
▸ CYP11B1 P15538 2/20 0.49
▸ CYP11B2 P19099 2/20 0.49
▸ GRM2 Q14416 2/20 0.46
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ GAA P10253 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ PARP2 Q9UGN5 1/20 0.39

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 0.94 KIF11 (0.62) KIF11TDP2CYP11B1CYP11B2GRM2
SCHEMBL6756077 0.87 KIF11 (0.49) KIF11TDP2GRM2
SCHEMBL4898372 0.79 KIF11 (0.72) KIF11TDP2CYP11B1CYP11B2GRM2
SCHEMBL4596333 0.79 KIF11 (0.68) KIF11TDP2CYP11B1CYP11B2GRM2
SCHEMBL1903306 0.78 KIF11 (0.80) KIF11TDP2CYP11B1CYP11B2GRM2
SCHEMBL1396616 0.77 KIF11 (1.00) KIF11TDP2CYP11B1CYP11B2PDE3B
SCHEMBL3307653 0.77 KIF11 (0.78) KIF11TDP2
SCHEMBL4596362 0.75 KIF11 (0.61) KIF11TDP2CYP11B1CYP11B2PDE3B
SCHEMBL4596437 0.75 KIF11 (0.65) KIF11TDP2CYP11B1CYP11B2GRM2
SCHEMBL29007518 0.74 CYP11B1 (0.70) TDP2CYP11B1CYP11B2PDE3BPDE3A

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 1033/4885CYP11B1 780/4885

“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.

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