SCHEMBL4489662

SCHEMBL4489662

Cc1ccc(-c2ccc(N)nc2)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 11/20 0.51
▸ ALOX5AP P20292 9/20 0.51
▸ ABL1 P00519 1/20 0.46
▸ EIF2AK3 Q9NZJ5 1/20 0.43
▸ TDO2 P48775 2/20 0.43
▸ NOS3 P29474 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ PIK3CD O00329 1/20 0.42
▸ MKNK1 Q9BUB5 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL1409516 0.82 FEN1 (0.54) FEN1ALOX5APTDO2PIK3CDMKNK1
SCHEMBL19154379 0.82 PTGS2 (0.45) FEN1ALOX5APABL1TDO2CYP3A4
SCHEMBL4504756 0.79 ABL1 (0.68) FEN1ALOX5APABL1EIF2AK3TDO2
SCHEMBL4502041 0.79 EIF2AK3 (0.55) FEN1ALOX5APABL1EIF2AK3TDO2
SCHEMBL20929592 0.78 ALOX5AP (0.38) FEN1ALOX5APABL1CYP3A4CYP2A6
SCHEMBL13310790 0.77 CYP3A4 (0.37) FEN1ALOX5APABL1CYP3A4CYP2A6
SCHEMBL803253 0.77 PTGS2 (0.38) FEN1ALOX5AP
SCHEMBL13310785 0.77 ALOX5AP (0.38) FEN1ALOX5APABL1CYP3A4CYP2A6
SCHEMBL15681345 0.76 CYP3A4 (0.40) FEN1ALOX5APALDH1A1CYP3A4
SCHEMBL4502030 0.76 PIK3CD (0.46) FEN1ALOX5APABL1TDO2NOS3

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 FEN1 3489/4885ALOX5AP 1045/4885ABL1 821/4885
US-20060025455-A1 New 5-aryl pyridines as 11-beta inhibitors for the treatment of diabetes GPR119, CYP4B1, SLC5A1 FEN1 3489/4885ALOX5AP 1045/4885ABL1 821/4885

“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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