SCHEMBL4489666

SCHEMBL4489666

Nc1ccc(-c2cccc(C(F)F)c2)cn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 3/20 0.62
▸ ATM Q13315 5/20 0.46
▸ PIK3CD O00329 4/20 0.44
▸ USP7 Q93009 1/20 0.44
▸ DYRK1A Q13627 1/20 0.43
▸ DYRK1B Q9Y463 1/20 0.43
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ FEN1 P39748 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ TLR8 Q9NR97 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MINK1 Q8N4C8 1/20 0.40
▸ TNIK Q9UKE5 1/20 0.40

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
SCHEMBL13524637 0.87 MAP4K4 (0.62) MAP4K4ATMPIK3CDDYRK1ADYRK1B
SCHEMBL1477226 0.79 MAP4K4 (0.70) MAP4K4ATMPIK3CDDYRK1ADYRK1B
SCHEMBL17027804 0.77 MAP4K4 (0.72) MAP4K4PIK3CDUSP7DYRK1ADYRK1B
SCHEMBL3173784 0.75 MAP4K4 (0.51) MAP4K4ATMPIK3CD
SCHEMBL12349144 0.74 MAP4K4 (0.68) MAP4K4PIK3CDDYRK1ADYRK1BMKNK1
SCHEMBL2319381 0.74 MAP4K4 (0.68) MAP4K4PIK3CDDYRK1ADYRK1BCYP1A2
SCHEMBL30704262 0.73 MAP4K4 (0.62) MAP4K4ATMPIK3CDMKNK2
SCHEMBL28051302 0.73 MAP4K4 (0.62) MAP4K4ATMPIK3CDMKNK2
SCHEMBL21384046 0.73 NTRK1 (0.39) MAP4K4USP7GRIN1GRIN2B
SCHEMBL29442831 0.73 NTRK1 (0.39) MAP4K4USP7GRIN1GRIN2B

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211913-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2012-07-03 — — US disclosed
US-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES AMREIN KURT 2009-06-11 — — US disclosed
US-7528159-B2 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. (US) 2009-05-05 — — US disclosed
EP-1789041-B1 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-07-09 — — EP disclosed
EP-1789041-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. Hoffmann-Roche AG (CH) 2007-05-30 — — EP disclosed
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes HOFFMANN-LA ROCHE INC. 2006-02-02 — — US disclosed
WO-2006010546-A2 ARYL-PYRIDINE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS F. HOFFMAN-LA ROCHE AG (CH) 2006-02-02 — — 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 (2 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-20090149503-A1 NEW 5-ARYL PYRIDINES AS 11-BETA INHIBITORS FOR THE TREATMENT OF DIABETES GPR119, CYP4B1, SLC5A1 MAP4K4 859/4885ATM 3949/4885PIK3CD 460/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 MAP4K4 859/4885ATM 3949/4885PIK3CD 460/4885

“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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